Category: 3115-28-4

Wu, Shengde published the artcileFramework for Identifying Chemicals with Structural Features Associated with the Potential to Act as Developmental or Reproductive Toxicants, Category: catalysis-chemistry, the publication is Chemical Research in Toxicology (2013), 26(12), 1840-1861, database is CAplus and MEDLINE.

Developmental and reproductive toxicity (DART) end points are important hazard end points that need to be addressed in the risk assessment of chems. to determine whether or not they are the critical effects in the overall risk assessment. These hazard end points are difficult to predict using current in silico tools because of the diversity of mechanisms of action that elicit DART effects and the potential for narrow windows of vulnerability. DART end points have been projected to consume the majority of animals used for compliance with REACH; thus, addnl. nonanimal predictive tools are urgently needed. This article presents an empirically based decision tree for determining whether or not a chem. has receptor-binding properties and structural features that are consistent with chem. structures known to have toxicity for DART end points. The decision tree is based on a detailed review of 716 chems. (664 pos., 16 neg., and 36 with insufficient data) that have DART end-point data and are grouped into defined receptor binding and chem. domains. When tested against a group of chems. not included in the training set, the decision tree is shown to identify a high percentage of chems. with known DART effects. It is proposed that this decision tree could be used both as a component of a screening system to identify chems. of potential concern and as a component of weight-of-evidence decisions based on structure-activity relationships (SAR) to fill data gaps without generating addnl. test data. In addition, the chem. groupings generated could be used as a starting point for the development of hypotheses for in vitro testing to elucidate mode of action and ultimately in the development of refined SAR principles for DART that incorporate mode of action (adverse outcome pathways).

Chemical Research in Toxicology published new progress about 3115-28-4. 3115-28-4 belongs to catalysis-chemistry, auxiliary class Aliphatic Chain, name is 2-Butylhexanoic acid, and the molecular formula is C9H12O3S, Category: catalysis-chemistry.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Boissier Pierre Simon, Jacques R. published the artcileThe psychoanaleptic action of some derivatives of phenyl-ethylamine which cause anorexia, Synthetic Route of 3115-28-4, the publication is Therapie (1965), 20(2), 297-309, database is CAplus.

Twelve phenylethylamine derivatives were administered orally and peritoneally to mice (0.5 ml./20 g.) and rats (1 ml./100 g.) and their behavior and the toxicity of the drugs were studied. Also antagonistic action against barbiturates was evaluated, and did not parallel the change in dosage. The stimulating action was observed in the following decreasing orders: d-amphetamine (I), dl-amphetamine (II), pipradrol (III), oxazimedrine (IV), levophacetoperan (V), ephedrine (VI), phenylpropanolamine (VII), amphepramon (VIII), chlorphentermine (IX), phendimetrazine (X), benzphetamine (XI), phenfluoramine (XII). The toxicity is greatest in I, was 25-67% less in II, VII, V, III, VI, IX, VIII, X, and IV were slightly toxic. XI and XII were practically nontoxic. All compounds are encephalic excitation agents.

Therapie published new progress about 3115-28-4. 3115-28-4 belongs to catalysis-chemistry, auxiliary class Aliphatic Chain, name is 2-Butylhexanoic acid, and the molecular formula is C10H20O2, Synthetic Route of 3115-28-4.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Netzeva, Tatiana published the artcile2D and 3D QSAR analysis of some valproic acid metabolites and analogues as anticonvulsant agents, Synthetic Route of 3115-28-4, the publication is Pharmaceutical Research (2000), 17(6), 727-732, database is CAplus and MEDLINE.

Purpose: To investigate the structural features responsible for the variations in anticonvulsant activity of a series of twenty six valproic acid (VPA) metabolites and analogs. Methods: Different approaches for quant. structure-activity relationship anal. (QSAR) as conventional 2D QSAR anal. and comparative mol. field anal. (3D QSAR) were used. The 2D QSAR was performed with more than twenty structure descriptors as the partition and distribution coefficients, topol., geometrical and electronic descriptors, and indicator variables. The electronic descriptors were calculated for the energetically most stable conformers. For the need of 3D QSAR steric and electrostatic potential maps were generated. Partial least squares (PLS) anal. has been carried out for the statistical evaluation of the models and weighted least squares (WLS) anal. was used for the visualization of the results. Results: It was established that the two approaches-2D and 3D QSAR, prove the importance of the lipophilicity of the compounds for anticonvulsant activity. The results from both the approaches suggest that a substitution at ¦Á-position is essential for a higher activity. Conclusions: 3D QSAR is useful for describing the steric and electrostatic fields, important for the activity. For predicting the activity of new compounds 2D QSAR tools were proposed.

Pharmaceutical Research published new progress about 3115-28-4. 3115-28-4 belongs to catalysis-chemistry, auxiliary class Aliphatic Chain, name is 2-Butylhexanoic acid, and the molecular formula is C10H20O2, Synthetic Route of 3115-28-4.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Wolfs, Melanie published the artcileEffect of hydrocarbon chain branching in the elaboration of superhydrophobic materials by electrodeposition of conducting polymers, SDS of cas: 3115-28-4, the publication is Surface and Coatings Technology (2014), 259(Part_C), 594-598, database is CAplus.

Here, the authors study for the first time the influence of hydrocarbon chain branching on the formation of surface structures and on superhydrophobic properties obtained by electrodeposition of conducting polymers. Two series of 3,4-ethylenedioxythiophene (EDOT) derivatives with branched hydrocarbon chains were synthesized and the surface properties were compared with linear hydrocarbon chains. The authors show that hydrocarbon chain branching reduces the intrinsic hydrophobicity of the substituent. As a consequence, the branching can lead to smoother films, due to the increase in the solubility of the oligomers formed in the first instances of the polymerization, than that obtained with linear hydrocarbon chains. Here, highly structured films with non-wetting properties close to superhydrophobic properties are obtained with linear hydrocarbon chains from a total number of carbon of 8 while relatively smooth hydrophobic films are obtained with branched hydrocarbon chains. This work is extremely important in the control of the surface properties of electrodeposited conducting polymers.

Surface and Coatings Technology published new progress about 3115-28-4. 3115-28-4 belongs to catalysis-chemistry, auxiliary class Aliphatic Chain, name is 2-Butylhexanoic acid, and the molecular formula is C14H12O3, SDS of cas: 3115-28-4.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Levene, P. A. published the artcileSynthesis and oxidation of tertiary hydrocarbons, Recommanded Product: 2-Butylhexanoic acid, the publication is Journal of Biological Chemistry (1918), 505-12, database is CAplus.

The investigation was evolved from the previous work of L. and Allen (C. A. 11, 1414) on the structure of branched chain fatty acids, in which an attempt was made to determine the position of the tertiary C atom by oxidation of the fatty acids themselves. As it was found that the oxidation took place at more than one point in the C chain and that consequently the products of oxidation were so numerous that it was difficult to formulate the structure of the original mol. on the basis of many fragments, it was thought that an advantage might be gained if prior to oxidation the mol. of the acid could be so transformed as to possess fewer points susceptible to the action of oxidizing agents. Transformation into the corresponding hydrocarbon seemed to offer the most promising possibilities. The work is divided into two parts, the synthesis of tertiary aliphatic hydrocarbons and the study of their behavior toward KMnO₄. The hydrocarbons were obtained by reduction of acids prepare by the malonic ester synthesis following the routine adopted in the work of L. and Allen. All the intermediate substances leading up to 2-butylhexane and to 4-butyloctane have been prepared, but only the former hydrocarbon, 2-butylhexane, is readily oxidized by an alk. KMnO₄ solution If the oxidation is carried out at 80-90¡ã the only oxidation products are HCO₂H and CO₂, but when conducted at 25¡ã butyric acid is formed which was identified as its Ag salt. The experiments on the oxidation are incomplete. Diethyl dibutylmalonate, b₁₄ 153-4¡ã (corrected). Dibutylmalonic acid crystallines from C₆H₆ in long, transparent, prismatic needles, slightly soluble in H₂O, m. 163¡ã (slight decomposition). 2-Butylhexylic acid, b. 255¡ã (corrected), b₁₆ 153¡ã, d₁₆ 0.899. Ethyl 2-butylhexylate, b₁₅ 114-5¡ã (corrected). 2-Butylhexyl alcohol, b. 218-9¡ã (corrected), d. 0.836. 2-Butylhexyl iodide, b₁₃ 124-5¡ã (corrected), d. 1.267. 2-Butylhexane, b. 165¡ã (corrected), d. 0.738. Diethyl 2-butylhexylmalonate, b₁₄ 180¡ã (corrected). 2-Butylhexylmalonic acid, transparent rhombic needles from low boiling petroleum ether, m. 88¡ã (corrected). 4-Butyloctylic acid, b₁₂ 173-4¡ã (corrected), d. 0.901. Ethyl 4-butyloctylate, b₁₀ 139¡ã (corrected). 4-Butyloctyl alcohol, b₁₅ 139¡ã, d. 0.841. 4-Butyloctyl iodide, b₈ 143¡ã, d. 1.194.

Journal of Biological Chemistry published new progress about 3115-28-4. 3115-28-4 belongs to catalysis-chemistry, auxiliary class Aliphatic Chain, name is 2-Butylhexanoic acid, and the molecular formula is C10H20O2, Recommanded Product: 2-Butylhexanoic acid.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Jha, Salil K. published the artcileChiral Optical Properties of a Helical Polymer Synthesized from Nearly Racemic Chiral Monomers Highly Diluted with Achiral Monomers, SDS of cas: 3115-28-4, the publication is Journal of the American Chemical Society (1999), 121(8), 1665-1673, database is CAplus.

In polyisocyanates composed only of randomly distributed (R) and (S) units, the chiral optical properties of the polymer are far out of proportion to the enantiomeric excess of the monomers. This highly disproportionate relationship, which arises from a majority-rule effect among these enantiomeric units on the helical sense of the backbone, is unaffected, within certain limits, by the overwhelming presence of achiral units randomly distributed along the chain. This exptl. result can be explained quant. by an anal. based on the one-dimensional random-field Ising model, which shows that dilution of the chiral units with achiral units increases the helical domain size in a manner that compensates for the dilution In qual. terms, since the random-field domain size is limited by the objection of the minority units to the helical sense dictated by the majority units, dilution of this objection acts to increase the domain size. As long as this domain size is not limited by the chain length or by thermal fluctuations, the achiral dilution will not reduce the optical activity of the polymer.

Journal of the American Chemical Society published new progress about 3115-28-4. 3115-28-4 belongs to catalysis-chemistry, auxiliary class Aliphatic Chain, name is 2-Butylhexanoic acid, and the molecular formula is C10H20O2, SDS of cas: 3115-28-4.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Aydin, Ahmet published the artcileThe synthesis of mono- and triglycerides of branched fatty acids and physical properties of the synthesized glycerides, Quality Control of 3115-28-4, the publication is Chimica Acta Turcica (1977), 5(1), 93-101, database is CAplus.

Nine 1-monoglycerides of BuCHRCO₂H (I; R = C_2-10–n-alkyl) were prepared by heating 2,3-O-isopropylideneglycerol with I in xylene in the presence of p-MeC₆H₄SO₃H with azeotropic distillation of water of reaction, and the corresponding triglycerides were prepared by similar treatment of glycerol. The refractive indexes, dielec. constants and dipole moments of all the glycerides and the surface tension of aqueous solutions of the monoglycerides were determined

Chimica Acta Turcica published new progress about 3115-28-4. 3115-28-4 belongs to catalysis-chemistry, auxiliary class Aliphatic Chain, name is 2-Butylhexanoic acid, and the molecular formula is C10H20O2, Quality Control of 3115-28-4.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Carraz, G. published the artcileBiochemical pharmacodynamics of the dipropylacetic acid structure, Application In Synthesis of 3115-28-4, the publication is Therapie (1965), 20(2), 419-26, database is CAplus.

Dipropylacetic acid (DPA) did not inhibit carbonic anhydrase nor did it change glutamine metabolism in rat brain. By using methylene blue as an electron acceptor, it was found that DPA, phenothiazines, and other neurotropic agents did not influence the oxidative pathway in guinea pig erythrocytes, which utilize mainly the pentose cycle for the metabolism of glucose. DPA and chlorpromazine did not interfere with anaerobic energy metabolism, but with the oxidative reactions in the glycolytic pathway. DPA and its derivatives interfered to varying degrees with the development of germinating wheat, which was accompanied by a strong depression of O consumption and the accumulation of glycolic acid. The depressing effects of DPA and its derivatives on germinating wheat were paralleled by their protective effects against cardiazole shock in the mouse.

Therapie published new progress about 3115-28-4. 3115-28-4 belongs to catalysis-chemistry, auxiliary class Aliphatic Chain, name is 2-Butylhexanoic acid, and the molecular formula is C10H20O2, Application In Synthesis of 3115-28-4.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Schmid, H. published the artcileThe constitution of fulvoplumierin. II, Computed Properties of 3115-28-4, the publication is Helvetica Chimica Acta (1953), 1468-89, database is CAplus.

cf. C.A. 48, 1365a. Fulvoplumierin (I), hydrogenated in AcOEt over 5% Pd-CaCO₃ poisoned with Pb, absorbed 2.0 mol H to form 46% tetrahydrofulvoplumierin (II), C₁₄H₁₆O₄, yellow needles (from EtOH), m. 75-6° (reduces Tollens reagent, and gives a yellow color with EtONa in Me₂CO), and a little hexahydrofulvoplumierin (III). II in AcOEt was hydrogenated over Pd-CaCO₃ to 64% III. Ozonization of II in CHCl₃ gave BuCO₂H (p-toluidide, m. 69-71°, mixed m.p. 70-2°), also obtained by oxidation of II with KMnO₄. I, hydrogenated in AcOEt over Pd-CaCO₃, absorbed 2.9 mol H to give a mixture, separated by distillation and chromatog. into 1.5% II; 36% III, C₁₄H₁₈O₄, colorless needles (from MeOH-H₂O), m. 43.0-3.2°, b_0.02 120-30°, has 1 MeO group, no active H, slowly reduces Tollens reagent; 3.5% isohexahydrofulvoplumierin (IV), C₁₄H₁₈O₄, m. 74-4.5° (from MeOH-H₂O) (m.p. depressed by II), b_0.02 120°, has 1 MeO group, slowly reduces Tollens reagents; 8% octahydrofulvoplumierin (V), C₁₄H₂₀O₄, b_0.01 at 130°; and an oil, which was saponified to a monocarboxylic acid (VI), C₁₃H₁₈O₄, m. 91-2.5° (from C₆H₆-petr. ether), equivalent weight 246, λ_maximum 243 mμ (log ε 3.88) (in EtOH). III in AcOH, hydrogenated over PtO₂, absorbed 2.8 mol H and gave 15% decahydrofulvoplumierin (VII), C₁₄H₂₂O₄, m. 41.5-3.0°, and 68% of an acid (VIII), C₁₄H₂₄O₄. III did not react with MeNH₂.HCl in EtOH, or with Ac₂O, AcOH, and AcONH₄, or with CH₂N₂ in Et₂O. III, treated 20 h. with N NaOH at 125°, consumed 3 equivalents NaOH; acidification gave HCO₂H, identified as HCONHPh (m. and mixed m.p. 45.5-6.5°), and 88% of a dibasic acid (IX), C₁₂H₁₈O₄, m. 159-60° (from Et₂O or Me₂CO-H₂O), equivalent weight 115, pK₁ 4.25, pK₂ 7.00, having 1 C-Me (Kuhn-Roth oxidation), no MeO. Ozonolysis of III in EtCl at -14° gave HCO₂H (identified as HCONHPh), (CO₂H)₂, and 2-butylglutaric acid (X), C₉H₁₆O₄, m. 89-40.5°, mixed m.p. 39.5-41°, equivalent weight 99, pK₁ 4.16, pK₂ 5.24. X, m. 40-1° (from Et₂O-C₅H₁₂), was prepared in good yield by acid hydrolysis of BuC(CO₂Et)₂CHCH₂CO₂Et, b_0.23 128°, obtained in 72% yield by condensation of BuCH(CO₂Et)₂ and BrCH₂CH₂CO₂Et with Na in EtOH. IX was unaffected when heated 1 h. with 5% HCl at 180°. IX, hydrogenated over PtO₂ in AcOH, absorbed 1.0 mol H and gave an oily dibasic acid (XI), C₁₂H₂₀O₄, b_0.01 150°, equivalent weight 119, pK₁ 4.56, pK₂ 5.90. IX, heated 30 min. with Ac₂O at 155-60°, yielded a colorless add anhydride (XII), C₁₄H₁₈O₄, m. 70.5-1°, pK 2.52, equivalent weight 255, giving an intensive violet color with FeCl₃ and a pos. CHI₃ test, and forming stable salts which give back XII on acidification. Ozonolysis of IX in AcOEt at -14° gave 1.83 mol CO₂ and AcCH₂CH₂CHBuCO₂H (XIII), C₁₀H₁₈O₂, equivalent weight 195, having 2 C-Me group, and giving a pos. CHI₃ test; Clemmensen reduction of XIII gave Bu₂CHCO₂H (XIV), b₁₃, 150-70°, 2,4,6-tribromoanilide, m. and mixed m.p. 203.5-4.5° β-naphthylamide, m. and mixed m. 136-7.5°. For comparison with XIV, BuCHEt(CH₂)₂CO₂H (piperazine salt, m. 110°); [2,4,6-tribromoanilide, m. 96.5-7.0° (from EtOH)], was prepared by reduction of BuCHEtCO₂H with LiAlH₄ to BuCHEtCH₂OH, b₁₂ 79°, conversion to the bromide, condensation to BuCHEtCH₂CH(CO₂H)₂, m. 99.0-9.5°, and decarboxylation. The UV spectrum of IX showed it to be an α,β-unsaturated acid, and the formation of XII, X, and XIII established IX as being 3-butyl-2-carboxy-1-cyclopentene-1-acetic acid. 2-carboxy-1-cyclopentene-1-acetic acid (XV), C₈H₁₀O₄, m. 187°, equivalent weight 86, pK₁ 4.19, pK₂ 6.60, has an UV spectrum similar to that of IX, and was converted by boiling Ac₂O to an acid anhydride similar to XII, 3-hydroxy-4-acetyl-6,7-dihydrocyclopenta[c]pyran-1(5H)-one (XVI), C₁₀H₁₀H₄, m. 170-1°, colorless needles (from Me₂CO-H₂O), equivalent weight 203, pK 2.30, giving an intense violet color with FeCl₃. XII and XVI also have similar UV spectra in acids and in bases and show similar titration curves with NaOH, as do IX and XV. XII is therefore 3-hydroxy-4-acetyl-7-butyl-6,7-dihydrocyclopenta[c]pyran-1-(5H)-one, III is Me 7-butyl-6,7-dihydrocyclopenta[c]pyran-1(5H)-one-4-carboxylate, and XI is 3-butyl-2-carboxycyclopentane-1-acetic acid. IV, hydrogenated over PtO₂ in AcOH, absorbed 2.5 mol H and gave a mixture of VII and VIII. Ozonolysis of IV in CHCl₃ at -20° gave BuCO(CH₂)₂CO₂H (XVII), identified as its p-nitrophenylhydrazone, m. and mixed m. 149-50° (from EtOH-H₂O). XVII, m. 52-3° (from Et₂O-C₅H₁₂ or EtOH-H₂O), was prepared by saponification of its Et ester, b₁₃ 114°, obtained in 55% yield from EtO₂CCH₂CH₂COCl and Bu₂Cd in C₆H₆. From its UV spectrum (λ_maximum 285 mμ), IV has both double bonds conjugated with the carboxy group, and is therefore Me 7-butyl-5,6-dihydrocyclopenta[c]pyran-1(3H)-one-4-carboxylate. V, hydrogenated in AcOH over PtO₂, absorbed 1.0 mol H, and gave VII. Saponification of V yielded a small amount of a hydroxy dicarboxylic acid (XVIII), C₁₃H₂₀O₅, m. 132.5-3.0° (from Et₂O-petr. ether or Me₂CO-H₂O), equivalent weight 133, pK₁, 5.30, pK₂ 6.52, λ_maximum 232 mμ (log ε 4.02) (in EtOH), which does not lactonize easily. XVIII is probably 2-(2-carboxy-3-butyl-2cyclopenten-1-yl)-3-hydroxypropionic acid, and V is either Me 7-butyl-3,4,6,7-tetrahydrocyclopenta[c]pyran-1(5H)-one-4-carboxylate or Me 7 -butyl-4,4a,5,6-tetrahydrocyclopenta[c]pyran-1(3H)-one-4-carboxylate or a mixture of both forms. By analogy, and from its UV spectrum, VI is 7-butyl-3,4,6,7-tetrahydrocyclopenta[c] pyran-1(5H)-one-4-carboxylic acid or 7-butyl-5,6,7,7a-tetrahydrocyclopenta[c]pyran-1(3H)-one-4-carboxylic acid. I, hydrogenated completely in AcOH over PtO₂, gave VII and a mixture of other products which was saponified and then oxidized; KMnO₄ gave (CO₂H)₂, XVII, and a lactonic acid (XIX), C₁₃H₂₀O₄, m. 87.5-8.5°, equivalent weight 247; H₂CrO₄ gave BuCO₂H, PrCO₂H, and (CH₂CO₂H)₂. VII is Me 7-butylhexahydrocyclopenta[c]pyran-1(3H)-one-4-carboxylate, XIX is the corresponding free acid, and VIII is 2-(2-carboxy-3-butylcyclopentyl)propionic acid. The UV spectrum of II shows a double bond, conjugated with those in the pyrone ring, which must be in the cyclopentane ring, since oxidation of II gave BuCO₂H; II is probably Me 7-butylcyclopenta[c]pyran-1(5H)-one-4-carboxylate. From the structures of its derivatives, the similarity of its UV spectrum to those of 1-cinnamylideneindene and 1-crotonylideneindene (orange oil, C₁₃H₁₂, b_0.05 90°; picrate, orange needles, m. 90-90.5°) and the lack of allene group absorption bands in its IR spectrum, I must be a fulvene derivative, Me 7-crotonylidenecyclopenta[c]pyran-1(7H)-one-4-carboxylate.

Helvetica Chimica Acta published new progress about 3115-28-4. 3115-28-4 belongs to catalysis-chemistry, auxiliary class Aliphatic Chain, name is 2-Butylhexanoic acid, and the molecular formula is C10H20O2, Computed Properties of 3115-28-4.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Arndt, R. R. published the artcileAutoxidation. I. Liquid phase autoxidation of 5-methylnonane, Category: catalysis-chemistry, the publication is Journal of the Chemical Society (1959), 3258-64, database is CAplus.

The purpose was to determine the effect of a Me group, introduced into an otherwise straight-chain hydrocarbon, on the position of radical attack during autoxidation 5-Methylnonane (I), b₆₅₅ 160°, n²¹_D 1.4122, was prepared Bu₂C(OH)Me (500 g.), b₂₄ 103-4°, n²⁵_D 1.4328, was slowly distilled over 0.1 g. iodine at atm. pressure. The distillate was dried over CaCl₂ and redist. to give 5-methyl-4-nonene (II), b₆₅₅ 155-6°. Hydrogenation of II at 100° and 150 lb./sq. in. in the presence of 2% Pd(CaCO₃ yielded I (after fractional distillation). I was oxidized in O at 90°. Samples were withdrawn at intervals and reduced with LiAlH₄ to give a mixture of corresponding alcs., which were analyzed by gas chromatography (flame ionization detector). Mixtures of 3- and 4-ols could not be resolved by gas chromatography, but the mixture of isomers in the fraction was determined by infrared absorption spectroscopy. The susceptibility of various carbon positions to attack was in the expected order (tertiary > secondary > primary). However, differences in the reactivity of secondary C’s were observed. Position 2 was slightly more reactive than 4, and both were 2-3 times as reactive as position 3. H was removed 19 times more readily from a tertiary than a secondary C and 4 times more readily from a secondary than a primary C. As oxidation proceeded, chain fission of the primary oxidation product (5-hydroperoxy-5-methylnonane) yielded EtOH, BuOH, and 2-hexanol as major substances. Removal of the Me group from I did not take place, since the expected alc. was not detected. Diols obtained on reduction of disubstituted autoxidation products were found in substantial amounts, indicating that the chain reaction step ROOâ€?+ HR â†?ROOH + •R was propagated to a large extent by intramolecular H transfer. A number of possible reduction products were synthesized in order to identify the gas chromatographic peaks. 5-Methyl-4-nonanone, prepared by a Grignard reaction from 2-methylhexanoyl chloride and PrBr, was reduced with LiAlH₄, distilled, and purified by chromatography on alumina to yield 5-methyl-4-nonanol, b₆₅₄ 197.8-8.0°, n²⁵_D 1.4340, n³⁰_D 1.4320. 5-Methyl-3-nonanone, b₆₅₅ 194-6, prepared from 3-methylheptanoyl chloride and EtBr, gave 5-methyl-3-nonanol, b₆₅₅ 197.5-7.6°, n²⁶_D 1.4326, n³⁰_D 1.4312. Similarly prepared was 5-methyl-2-nonanol, b₆₅₅ 202-2.1°, n²⁵_D 1.4320, n³⁰_D 1.4312. 5-Methylnonanol, n³⁰_D 1.4340, was prepared by reduction of a 5-methylnonanoate with LiAlH₄. 2-Butylhexanol, b₆₅₅ 209.40, n³⁰_D 1.4328, was prepared by LiAlH₄ reduction of 2-butylhexanoic acid, b₃₅ 160-2°, n³⁰_D 1.4396. 5-Methyl-2,5-nonanediol, b_0.25 93°, m. 70°, was prepared from 5-oxo-2-hexanol and the Grignard derivative of BuBr. Similarly prepared was 5-methyl-3,5-nonanediol, b_0.1 77.5°, n³⁰_D 1.4407. Hydroxylation of 5-methyl-4-nonene with performic acid yielded 5-methyl-4,5-nonanediol, b_0.5 86°, n³⁰_D 1.4463.

Journal of the Chemical Society published new progress about 3115-28-4. 3115-28-4 belongs to catalysis-chemistry, auxiliary class Aliphatic Chain, name is 2-Butylhexanoic acid, and the molecular formula is C10H20O2, Category: catalysis-chemistry.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia