Category: 6972-05-0

Kinunda, Grace published the artcileUnderstanding the electronic and ¦Ð-conjugation roles of quinoline on ligand substitution reactions of platinum(II) complexes, Recommanded Product: 1,1-Dimethylthiourea, the publication is Transition Metal Chemistry (Dordrecht, Netherlands) (2014), 39(4), 451-459, database is CAplus.

A kinetic and mechanistic study of chloride substitution by thiourea nucleophiles, thiourea, N-methylthiourea, N,N-dimethylthiourea and N,N,N’,N’-tetramethylthiourea in the complexes chlorobis-(2-pyridylmethyl)amineplatinum(II) (Pt1), chloro N-(2-pyridinylmethyl)-8-quinolinamineplatinum(II) (Pt2), chloro N-(2-pyridinylmethylene)-8-quinolinamineplatinum(II) (Pt3) and chlorobis(8-quinolinyl)amineplatinum(II) (Pt4) was undertaken under pseudo-first-order conditions using UV-visible spectrophotometry. Lability of the chloro leaving group is dependent on the strength of ¦Ð-interactions between the filled d¦Ð-orbitals of the metal and the empty ¦Ð^*-orbitals of the chelating ligand in the following manner: Pt1 > Pt3 > Pt2 > Pt4. Introduction of the quinoline moiety within the nonlabile chelated framework of the Pt(II) complexes results in a more electron-rich metal center which retards the approach of the nucleophile through repulsion. Also, the net ¦Ò-effect of the ligand moiety plays a significant role in controlling the reactivity of the complexes. The exptl. results are interpreted with the aid of computational data obtained by d. functional theory (B3LYP(CPCM)/LANL2DZp//B3LYP/-LANL2DZp) calculations The mode of substitution remains associative as supported by neg. entropies and the dependence of the 2nd-order rate constants on the concentration of entering nucleophiles.

Transition Metal Chemistry (Dordrecht, Netherlands) published new progress about 6972-05-0. 6972-05-0 belongs to catalysis-chemistry, auxiliary class Thiourea,Amine,Aliphatic hydrocarbon chain,Amide, name is 1,1-Dimethylthiourea, and the molecular formula is C3H8N2S, Recommanded Product: 1,1-Dimethylthiourea.

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

Ongoma, Peter published the artcileThe ¦Ð-acceptor effect in the substitution reactions of tridentate N-donor ligand complexes of platinum(ii): a detailed kinetic and mechanistic study, Formula: C3H8N2S, the publication is Dalton Transactions (2012), 41(35), 10724-10730, database is CAplus and MEDLINE.

The nucleophilic substitution reactions of complexes [Pt{4′-(2”’-CH₃-phenyl)-2,2′:6′,2”-terpyridine}Cl]CF₃SO₃, [CH₃PhPtCl], [Pt{4′-(2”’-CH₃-phenyl)-6-(3”-isoquinoyl)-2,2’bipyridine}Cl]SbF₆, [CH₃PhisoqPtCl], [Pt{2-(2′-pyridyl)-1,10-phenanthroline}Cl]Cl, [pyPhenPtCl], and [Pt(terpyridine)Cl]⁺, [PtCl] with a series of nucleophiles: thiourea (TU), N,N-dimethylthiourea (DMTU), N,N,N,N-tetramethylthiourea (TMTU), I^–, Br^–, and SCN^– were studied in 0.1 M LiCF₃SO₃ in methanol (in the presence of 10 mM LiCl). The reactivity of the investigated complexes follows the order pyPhenPtCl > PtCl > CH₃PhPtCl > CH₃PhisoqPtCl. The lability of the chloride ligand is dependent on the strength of ¦Ð-backbonding properties of the spectator ligands around the platinum center. The exptl. data is strongly supported by DFT calculations The dependence of the second-order rate constants on concentration of the nucleophiles as well as the large neg. values reported for the activation entropy (¦¤S^?) confirmed an associative mechanism of substitution.

Dalton Transactions published new progress about 6972-05-0. 6972-05-0 belongs to catalysis-chemistry, auxiliary class Thiourea,Amine,Aliphatic hydrocarbon chain,Amide, name is 1,1-Dimethylthiourea, and the molecular formula is C3H8N2S, Formula: C3H8N2S.

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

Ongoma, Peter O. published the artcileMechanistic elucidation of linker and ancillary ligand substitution reactions in Pt(II) dinuclear complexes, SDS of cas: 6972-05-0, the publication is Dalton Transactions (2013), 42(8), 2724-2734, database is CAplus and MEDLINE.

The rate of substitution of aqua ligands by three nucleophiles, thiourea (TU), N,N-dimethylthiourea (DMTU) and N,N,N,N-tetramethylthiourea (TMTU), for [cis-{PtOH₂(NH₃)₂}₂-¦Ì-pyrazine](ClO₄)₂ (pzn), [cis-{PtOH₂(NH₃)₂}₂-¦Ì-2,3-dimethylpyrazine](ClO₄)₂ (2,3pzn), [cis-{PtOH₂(NH₃)₂}₂-¦Ì-2,5-pyrazine](ClO₄)₂ (2,5pzn) and [cis-{PtOH₂(NH₃)₂}₂-¦Ì-2,6-dimethylpyrazine](ClO₄)₂ (2,6pzn) was studied under pseudo 1st-order conditions as a function of concentration and temperature by stopped-flow and UV-Visible spectrophotometry. The reaction proceeded in three consecutive steps; each step follows 1st order kinetics with respect to each complex and nucleophile. The pseudo 1st-order rate constants, k_obs(1/2/3), for sequential substitution of the aqua ligands and subsequent displacement of the linker obeyed the rate law: k_obs(1/2/3) = k_(1/2/3)[nucleophile]. The steric hindrance properties of the pyrazine-bridging ligand control the overall reaction pattern. The order of reactivity of the complexes is 2,3pzn ¡Ö 2,5pzn < 2,6pzn < pzn. The difference in reactivity attributed to the steric crowding at the Pt(II) center imposed by the Me groups reduces the lability of the aqua complexes. The order of reactivity of the nucleophiles decreases with the increase in steric demand TU > DMTU > TMTU. ¹H and ¹⁹⁵Pt NMR spectroscopic results confirmed the observed dissociation of the bridging ligand from the metal center of the cis-dinuclear complexes and its derivatives in the 3rd step. The dissociation process is accelerated by the introduction of the steric effect on the linker in conjunction with the increased ligand field strength imparted by addnl. thiourea ligands at each metal center. The large neg. entropy of activation ¦¤S^¡Ù values in all cases support an associative substitution mechanism.

Dalton Transactions published new progress about 6972-05-0. 6972-05-0 belongs to catalysis-chemistry, auxiliary class Thiourea,Amine,Aliphatic hydrocarbon chain,Amide, name is 1,1-Dimethylthiourea, and the molecular formula is C3H8N2S, SDS of cas: 6972-05-0.

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

Papo, Tshephiso R. published the artcileTuning the ¦Ð-backbonding and ¦Ò-trans effect of N?N? coordinated Pt(II) complexes. Kinetic and computational study, Recommanded Product: 1,1-Dimethylthiourea, the publication is Journal of Coordination Chemistry (2015), 68(5), 794-807, database is CAplus.

The nucleophilic substitution reaction of cyclometalated substituted 2,6-dipyridylphenyl platinum complexes [PtLⁿCl] (n = 1-4; HL¹ = 1,3-di-2-pyridylbenzene; HL² = 1-fluoro-3,5-di-2-pyridylbenzene; HL³ = 1-fluoro-2,4-di-2-pyridylbenzene; HL⁴ = 1-methyl-3,5-di-2-pyridylbenzene) with thioureas R¹R¹NCSNR²R² (TU, R¹ = R² = H; DMTU, R¹ = Me, R² = H; TMTU, R¹ = R² = Me) as a series of neutral nucleophiles with different steric properties, was studied under pseudo-first-order conditions in methanol solution of an ionic strength of 0.1 M (0.09 M LiOTf and 0.01 M LiCl). The rate of substitution of the chloro ligand was studied as a function of nucleophile concentration and temperature using UV-visible and stopped-flow spectrophotometric techniques. The observed pseudo-first-order rate constants for the substitution reactions obey the rate law k_obs = k₂[Nu] + k_-2. The reactivity of the investigated complexes when [PtL¹Cl] is used as a reference follows the order [PtL²Cl] > [PtL³Cl] > [PtL⁴Cl] > [PtL¹Cl]. The lability of the chloro group is dependent on the extent of ¦Ð-backbonding and the ¦Ò-trans effect of the ligand backbone. [PtL²Cl] and [PtL³Cl], which have a common electron-withdrawing fluoride on the ligand trans to the leaving group, have a higher reaction rate compared to [PtL⁴Cl], which has an electron-donating Me group attached to the ligand backbone. The position of the substituent on the Ph group trans to the leaving group also influences the overlap of frontier MOs which result in controlling the reactivity of the fluoro complexes. In general, the results show that the nature of the substituent, either electron withdrawing or electron donating, results in an increase in the rate of substitution. Second-order kinetics and large neg. activation entropies (¦¤S^#) support an associative substitution mechanism. The exptl. data are supported by DFT calculations

Journal of Coordination Chemistry published new progress about 6972-05-0. 6972-05-0 belongs to catalysis-chemistry, auxiliary class Thiourea,Amine,Aliphatic hydrocarbon chain,Amide, name is 1,1-Dimethylthiourea, and the molecular formula is C3H8N2S, Recommanded Product: 1,1-Dimethylthiourea.

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

Shimada, Kazuaki published the artcileConvenient synthesis of 2,3-dihydro-1,2,4-thiadiazoles, 4,5-dihydro-1,3-thiazoles, and 1,3-thiazoles through a [4 + 1]-type oxidative ring closure of 1,3-thiaza-1,3-butadienes, Formula: C3H8N2S, the publication is Heterocycles (2020), 100(6), 881-900, database is CAplus.

1,3-Thiaza-1,3-butadienes bearing an N,N-dimethylamino group at the C-2 position were efficiently converted into 5H-1,2,4-oxathiazoles, 2,3-dihydro-1,2,4-thiadiazoles, 4,5-dihydro-1,3-thiazoles, and 1,3-thiazoles through an oxidative ring closure by treating with mCPBA, chloramine-T, metal carbenoids, or dichlorocarbene, resp., via the ring closure of in situ generated heterocumulene-type reactive species involving thione S-oxides, thione S-imides, and thiocarbonyl ylides.

Heterocycles published new progress about 6972-05-0. 6972-05-0 belongs to catalysis-chemistry, auxiliary class Thiourea,Amine,Aliphatic hydrocarbon chain,Amide, name is 1,1-Dimethylthiourea, and the molecular formula is C8H7ClO3, Formula: C3H8N2S.

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

Fairhurst, Robin A. published the artcileIdentification and optimization of a 4′,5-bisthiazole series of selective phosphatidylinositol-3 kinase alpha inhibitors, Synthetic Route of 6972-05-0, the publication is Bioorganic & Medicinal Chemistry Letters (2015), 25(17), 3569-3574, database is CAplus and MEDLINE.

Exploring the affinity-pocket binding moiety of a 2-aminothiazole (S)-proline-amide-urea series of selective PI3K¦Á inhibitors using a parallel-synthesis approach led to the identification of a novel 4′,5-bisthiazole sub-series. The synthesis and optimization of both the affinity pocket and (S)-proline amide moieties within this 4′,5-bisthiazole sub-series are described. From this work a number of analogs, including (I) (A66) and (II), were identified as potent and selective PI3K¦Á inhibitor in vitro tool compounds

Bioorganic & Medicinal Chemistry Letters published new progress about 6972-05-0. 6972-05-0 belongs to catalysis-chemistry, auxiliary class Thiourea,Amine,Aliphatic hydrocarbon chain,Amide, name is 1,1-Dimethylthiourea, and the molecular formula is C3H8N2S, Synthetic Route of 6972-05-0.

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

Li, Jie published the artcileDual-enhancement on electrochemical performance with thioacetamide as an electrolyte additive for lithium-sulfur batteries, COA of Formula: C3H8N2S, the publication is Electrochimica Acta (2021), 138041, database is CAplus.

Li-S (Li-S) batteries with high theor. specific capacity and ascendancy of raw materials are considered as a potential candidate for next-generation energy storage system. However, some intractable challenges, such as low S use caused by the loss of active materials and surface passivation resulted from the deposition of insulating products, still hinder the practical application of Li-S batteries. Herein, various types of thioamides with different mol. structures were studied as electrolyte additives to enhance the electrochem. performance of Li-S cells by adjusting the solubility of the final product, Li₂S. The thioamides that contain H in primary-amine or secondary-amine groups are prone to generate recyclable active materials. Specifically, thioacetamide (TAA) as an electrolyte additive not only provides extra reversible capacity, but also boosts the solubility of Li₂S by intermol. H bonds, alleviating the passivation of the electrode and enhancing kinetics for the conversion of polysulfide to Li₂S. Therefore, the cells with TAA additive exhibit superior cycle performance and rate performance.

Electrochimica Acta published new progress about 6972-05-0. 6972-05-0 belongs to catalysis-chemistry, auxiliary class Thiourea,Amine,Aliphatic hydrocarbon chain,Amide, name is 1,1-Dimethylthiourea, and the molecular formula is C3H8N2S, COA of Formula: C3H8N2S.

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

Czerney, Peter published the artcileHeterocyclic substituted coumarins from ¦Â-chloropropeniminium salts, Computed Properties of 6972-05-0, the publication is Journal fuer Praktische Chemie (Leipzig) (1982), 324(2), 255-66, database is CAplus.

The chloropropeniminium salts I (X = N⁺Me₂ ClO₄^–; R = H, 6-Br, 7-OH, 7-OMe, 7-NMe₂, 7-pyrrolidino, 8-OMe, 7-NEt₂, R¹ = H; RR¹ = 5,6-CH:CHCH:CH, 7,8-CH:CHCH:CH) and the aldehydes I (X = O) were prepared by treating 3-acetylcoumarins with DMF-POCl₃ in the presence of HClO₄ or H₂O, resp. I are versatile synthetic intermediates giving I (X = CR²CN, R² = cyano, CO₂Et, 2-benzimidazolyl, 4-O₂NC₆H₄) which were converted to the aminobutadienes. I were also cyclized to pyrylium, thiopyrylium, pyrazolyl, and thiazinyl derivatives

Journal fuer Praktische Chemie (Leipzig) published new progress about 6972-05-0. 6972-05-0 belongs to catalysis-chemistry, auxiliary class Thiourea,Amine,Aliphatic hydrocarbon chain,Amide, name is 1,1-Dimethylthiourea, and the molecular formula is C3H8N2S, Computed Properties of 6972-05-0.

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

Gillon, David W. published the artcileN,N-Disubstituted 2-aminothiazole-5-carboxaldehydes: preparation and investigation of structural features, SDS of cas: 6972-05-0, the publication is Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) (1983), 341-7, database is CAplus.

N,N-Disubstituted 2-aminothiazoles were prepared and converted into the corresponding 5-carboxaldehydes by Vilsmeier formylation. The aldehydes were studied by IR and ¹H NMR spectroscopy. The aldehyde group adopts the carbonyl O,S-syn conformation. With N,N-di-Me and N-benzyl-N-Me compounds the barrier to rotation of the amine group is 50-55 kJ/mol and is insensitive to the nature of the 4-substituent. The amine group of the N-methyl-N-Ph compounds has a marked preference for one orientation. Thus, x-ray crystallog. anal. of triazole I showed the Ph group to be directed towards the S of the thiazole ring. The results of the phys. methods overlap in establishing the importance of a mesomeric interaction between the functional groups of 2-aminothiazole-5-carboxaldehydes.

Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) published new progress about 6972-05-0. 6972-05-0 belongs to catalysis-chemistry, auxiliary class Thiourea,Amine,Aliphatic hydrocarbon chain,Amide, name is 1,1-Dimethylthiourea, and the molecular formula is C3H8N2S, SDS of cas: 6972-05-0.

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

Martin, M. L. published the artcileApplication of nitrogen-15 spectroscopy and dynamic NMR to the study of ureas, thioureas, and their Lewis acid adducts, Synthetic Route of 6972-05-0, the publication is Organic Magnetic Resonance (1980), 13(6), 396-402, database is CAplus.

Rotational barriers and ¹⁵N chem. shifts in 34 ureas and thioureas were measured, and several previously unobsd. rotational barriers were detected using lanthanide reagents or a high-field spectrometer. Nearly constant effects on the rotational activation energy and the ¹⁵N shift were produced on going from ureas to the corresponding thioureas, and correlations were observed between the ¦¤G? and ¦Ä(¹⁵N) values. The results are discussed in terms of lone-pair delocalization, and anomalies with respect to the general behavior may be due to the effect of steric torsion in crowded structures on ¹⁵N shifts and rotation barriers.

Organic Magnetic Resonance published new progress about 6972-05-0. 6972-05-0 belongs to catalysis-chemistry, auxiliary class Thiourea,Amine,Aliphatic hydrocarbon chain,Amide, name is 1,1-Dimethylthiourea, and the molecular formula is C3H8N2S, Synthetic Route of 6972-05-0.

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