Month: December 2022

Pham, Chien Thang published the artcileIron(III) Metallacryptand and Metallacryptate Assemblies Derived from Aroylbis(N,N-diethylthioureas), Formula: C10H10O6, the publication is Inorganic Chemistry (2017), 56(18), 11406-11416, database is CAplus and MEDLINE.

The reaction of isophthaloylbis(N,N-diethylthiourea), H₂L¹, with FeCl₃¡¤6H₂O gives the dinuclear tris-complex [Fe₂(L¹)₃] (5), possessing a cryptand-like structure. A similar reaction with the ligand 2,6-dipicolinoylbis(N,N-diethylthiourea), H₂L², however, gave the anionic, mononuclear Fe(III) complex [Fe(L²)₂]^– (6), which could be isolated as its Tl⁺ salt by the subsequent addition of Tl(NO₃). A tighter view to the solid state structure of the obtained product, however, characterizes compound 6 as a 1-dimensional coordination polymer, in which four-coordinate Tl⁺ ions connect the {[Fe(L²)₂]^–} units to infinite chains. When Fe³⁺ ions and Tl⁺ ions are added to H₂L² simultaneously in a 1-pot reaction, a different product was obtained: a cationic trinuclear complex {M?[Fe₂(L²)₃]}⁺. It was isolated as a PF₆^– salt and represents a {2}-metallacryptate with a nine-coordinate Tl⁺ ion in the central void. Structurally related products {M?[Fe₂(L²)₃]}(PF₆) (M = Na⁺, K⁺, Rb⁺) (8 PF₆) were isolated from analogous reactions with alk. salts instead of Tl(NO₃). {2}-Metallacryptates with larger central voids were synthesized with the ether-spaced aroylbis(N,N-diethylthiourea) H₂L³. {M?[Fe₂(L³)₃]}(PF₆) (M = K⁺, Rb⁺, Tl⁺ or Cs⁺) (9 PF₆) were prepared by a similar protocol to those with H₂L² with the simultaneous addition of the metal ions to a solution of H₂L³. Due to the larger spacer between the aroylthiourea units, the coordination number of the central M⁺ ions is 12 by six carbonyl and six ether O atoms. All products were characterized by elemental anal., IR spectroscopy, and x-ray structure anal. Cyclic voltammetric studies were carried out with the three representative complexes [Fe₂(L¹)₃], {K?[Fe₂(L²)₃]}(PF₆), and {K?[Fe₂(L³)₃]}(PF₆). The obtained voltammograms indicate dependence of the redox properties of the oligonuclear systems on the conjugation in the organic backbones of the ligands.

Inorganic Chemistry published new progress about 5411-14-3. 5411-14-3 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Ether, name is 2,2-(1,2-Phenylenebis(oxy))diacetic acid, and the molecular formula is C10H10O6, Formula: C10H10O6.

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

Le, Ky Khac Anh published the artcile1-Aminopyridinium Ylides as Monodentate Directing Groups for sp³ C-H Bond Functionalization, Recommanded Product: 2-Methyl-4-phenylbutanoic acid, the publication is Journal of the American Chemical Society (2019), 141(37), 14728-14735, database is CAplus and MEDLINE.

1-Aminopyridinium ylides are efficient directing groups for palladium-catalyzed ¦Â-arylation and alkylation of sp³ C-H bonds in carboxylic acid derivatives The efficiency of these directing groups depends on the substitution at the pyridine moiety. The unsubstituted pyridine-derived ylides allow functionalization of primary C-H bonds, while methylene groups are unreactive in the absence of external ligands. 4-Pyrrolidinopyridine-containing ylides are capable of C-H functionalization in acyclic methylene groups in the absence of external ligands, thus rivaling the efficiency of the aminoquinoline directing group. Preliminary mechanistic studies have been performed. A cyclopalladated intermediate has been isolated and characterized by X-ray crystallog., and its reactivity was studied.

Journal of the American Chemical Society published new progress about 1949-41-3. 1949-41-3 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene, name is 2-Methyl-4-phenylbutanoic acid, and the molecular formula is C11H14O2, Recommanded Product: 2-Methyl-4-phenylbutanoic acid.

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

Tran, Trung Thien published the artcileEmergence of amoxicillin resistance and identification of novel mutations of the pbp1A gene in Helicobacter pylori in Vietnam, Product Details of C5H11NO2S, the publication is BMC Microbiology (2022), 22(1), 41, database is CAplus and MEDLINE.

Amoxicillin-resistant Helicobacter pylori (H. pylori) strains seem to have increased over time in Vietnam. This threatens the effectiveness of H. pylori eradication therapies with this antibiotic. This study aimed to investigate the prevalence of primary resistance of H. pylori to amoxicillin and to assess its association with pbp1A point mutations in Vietnamese patients. Naive patients who presented with dyspepsia undergoing upper gastrointestinal endoscopy were recruited. Rapid urease tests and PCR assays were used to diagnose H. pylori infection. Amoxicillin susceptibility was examined by E-tests. Mol. detection of the mutant pbp1A gene conferring amoxicillin resistance was carried out by real-time PCR followed by direct sequencing of the PCR products. Phylogenetic analyses were performed using the Tamura-Nei genetic distance model and the neighbor-joining tree building method. There were 308 patients (46.1% men and 53.9% women, p = 0.190) with H. pylori infection. The mean age of the patients was 40.5 ¡À 11.4 years, ranging from 18 to 74 years old. The E-test was used to determine the susceptibility to amoxicillin (min. inhibitory concentration (MIC) ¡Ü 0.125¦Ìg/mL) in 101 isolates, among which the rate of primarily resistant strains to amoxicillin was 25.7%. Then, 270 sequences of pbp1A gene fragments were analyzed. There were 77 amino acid substitution positions investigated, spanning amino acids 310-596, with the proportion varying from 0.4 to 100%. Seven amino acid changes were significantly different between amoxicillin-sensitive (Amox^S) and amoxicillin-resistant (Amox^R) samples, including Phe366 to Leu (p < 0.001), Ser₄₁₄ to Arg (p < 0.001), Glu/Asn_464-465 (p = 0.009), Val₄₆₉ to Met (p = 0.021), Phe₄₇₃ to Val (p < 0.001), Asp₄₇₉ to Glu (p = 0.044), and Ser/Ala/Gly_595-596 (p = 0.001). Phylogenetic analyses suggested that other mol. mechanisms might contribute to amoxicillin resistance in H. pylori in addition to the alterations in PBP1A. We reported the emergence of amoxicillin-resistant Helicobacter pylori strains in Vietnam and new mutations statistically associated with this antimicrobial resistance. Addnl. studies are necessary to identify the mechanisms contributing to this resistance in Vietnam.

BMC Microbiology published new progress about 63-68-3. 63-68-3 belongs to catalysis-chemistry, auxiliary class Natural product, name is (S)-2-Amino-4-(methylthio)butanoic acid, and the molecular formula is C3H5BN2O2, Product Details of C5H11NO2S.

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

Bokosi, Fostino R. B. published the artcileSynthesis, in silico docking studies, and antiplasmodial activity of hybrid molecules bearing 7-substituted 4-aminoquinoline moiety and cinnamic acid derivatives, Safety of (E)-3-(3-Nitrophenyl)acrylic acid, the publication is Chemical Biology & Drug Design (2022), 100(1), 41-50, database is CAplus and MEDLINE.

This paper reports a series of nine hybrid compounds of 7-substituted 4-aminoquinoline and cinnamic acid as antiplasmodial agents. The synthesized compounds were moderately active, with IC₅₀ values ranging from 1.8 to 16¦ÌM against the Pf3D7 chloroquine-sensitive strain in vitro. Compound I was shown to be the most potent in this investigation, with an IC₅₀ value of 1.8¦ÌM. Mol. docking studies revealed that compounds II and III, with binding energies (¦¤G0) of -7.19 and -7.72 kcal/mol and inhibition constants (Ki) of 5.36 and 2.20¦ÌM, resp., were the best inhibitor candidates. The results of the Frontier MOs revealed that compounds possessed a small HOMO-LUMO energy gap. The HOMO-LUMO energy distributions indicated that the cinnamic acid regions favored the LUMO distribution, while the quinoline regions favored the HOMO energy. The investigation of absorption, distribution, metabolism, excretion, and toxicity based on in silico ADME tools predicted that the compounds have a good drug-like character.

Chemical Biology & Drug Design published new progress about 1772-76-5. 1772-76-5 belongs to catalysis-chemistry, auxiliary class Benzenes, name is (E)-3-(3-Nitrophenyl)acrylic acid, and the molecular formula is C9H7NO4, Safety of (E)-3-(3-Nitrophenyl)acrylic acid.

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

Zainab-L, Idris published the artcilePotential of mealworms used in polyhydroxyalkanoate/bioplastic recovery as red hybrid tilapia (Oreochromis sp.) feed ingredient, HPLC of Formula: 63-68-3, the publication is Scientific Reports (2022), 12(1), 9598, database is CAplus and MEDLINE.

Polyhydroxyalkanoates (PHAs) are bio-based polymers produced in bacterial cells to replace some petrochem. plastics. It has always been a challenge to commercialise PHA due in part to the costly recovery processes of the PHA granules from the bacterial cells. The biol. approach of using mealworms, Tenebrio molitor, for the recovery of PHA from the bacterial cells is a newly established method that is at the scale-up stage. On the other hand, the aquaculture feed industry needs a low-cost mealworm meal as a protein source. We aimed at studying the nutritional value of the mealworms (which are byproducts) used for the poly(3-hydroxybutyrate) (PHB) (the most common type of PHA) recovery from the bacterial and examining the effect of the mealworms on the growth performance, and feed utilization efficiency of red hybrid tilapia (Oreochromis sp.). The cells were fed to the mealworms to digest the proteinaceous cellular materials and excrete the PHB granules in the form of fecal pellets. The resulting mealworms were used as fishmeal replacement to formulate five isonitrogenous (35% crude protein) and isolipidic (8% lipid) diets at mealworm meal (MwM) inclusion levels of 0% (MwM0/control diet), 25% (MwM25), 50% (MwM50), 75% (MwM75) or 100% (MwM100). The results showed good nutritive value mealworms [high protein (75%), low-lipid (10%)] and up to 75% MwM inclusion diet was good in supplying satisfactory nutrients and energy to the red hybrid tilapia. This approach is beneficial in a way that minimal cost was involved in recovering kilograms of PHB and the proteins, lipids, and minerals from the bacterial cells do not end up as wastes but in turn, are used as nutrition by the larvae.

Scientific Reports published new progress about 63-68-3. 63-68-3 belongs to catalysis-chemistry, auxiliary class Natural product, name is (S)-2-Amino-4-(methylthio)butanoic acid, and the molecular formula is C10H15ClO3S, HPLC of Formula: 63-68-3.

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

Chan, Ka-Wang published the artcileDi- and tri-nuclear ruthenium nitrosyl complexes containing thiolate ligands, COA of Formula: C15H24S, the publication is Journal of Organometallic Chemistry (2016), 151-157, database is CAplus.

Treatment of Ru(NO)Cl₃ with NaSC₆F₄H (C₆F₄HSH = 2,3,5,6-tetrafluorothiophenol) afforded the hydroxo-bridged dimer Na(H₂O)₂[Ru(NO)(SC₆HF₄)₂]₂(¦Ì-SC₆HF₄)₂(¦Ì-OH) (Na(H₂O)₂1), in which the {Na(H₂O)₂}⁺ moiety binds to the diruthenium core via the ¦Ì-hydroxo ligand and three ortho F atoms of the thiolate ligands. Metathesis of Na(H₂O)₂1 with Bu₄NBr and Ph₄PCl afforded Na-free (Bu₄N)[1] and (Ph₄P)[1], resp. Treatment of Ru(NO)Cl₃ with NaSBu^t afforded the trinuclear oxo-sulfido cluster Na(H₂O)₂[Ru(NO)(SBu^t)(¦Ì-SBu^t)]₃(¦Ì₃-S)(¦Ì₃-O) (Na(H₂O)₂2) that contains a trinuclear {Ru₃(SBu^t)₃} core capped by a ¦Ì₃-oxo and a ¦Ì₃-sulfido ligand. The {Na(H₂O)₂}⁺ moiety binds to the triruthenium core via the ¦Ì₃-oxo and two terminal thiolate ligands. Metathesis of Na(H₂O)₂2 with Bu₄NBr gave (Bu₄N)[2]. Treatment of Ru(NO)Cl₃ with NaStipp (tipp = 2,4,6-triisopropylphenyl) gave mononuclear Ru(NO)(Stipp)₃(tippSH) (3). The crystal structures of Na(H₂O)₂1, (Ph₄P)[1], and Na(H₂O)₂2 were determined

Journal of Organometallic Chemistry published new progress about 22693-41-0. 22693-41-0 belongs to catalysis-chemistry, auxiliary class Other Functionalization Reagent, name is 2,4,6-Triisopropylbenzenethiol, and the molecular formula is C15H24S, COA of Formula: C15H24S.

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

Rosen, Brandon R. published the artcileUse of Aryl Chlorides as Electrophiles in Pd-Catalyzed Alkene Difunctionalization Reactions, Computed Properties of 928836-00-4, the publication is Journal of Organic Chemistry (2010), 75(8), 2756-2759, database is CAplus and MEDLINE.

The development of conditions that allow use of inexpensive aryl chlorides as electrophiles in Pd-catalyzed alkene carboamination and carboetherification reactions is described. A catalyst composed of Pd(OAc)₂ and S-Phos minimizes N-arylation of the substrate and prevents formation of mixtures of regioisomeric products. A number of heterocycles, including pyrrolidines, isoxazolidines, tetrahydrofurans, and pyrazolidines, are efficiently generated with this method.

Journal of Organic Chemistry published new progress about 928836-00-4. 928836-00-4 belongs to catalysis-chemistry, auxiliary class Alkenyl,Amine,Aliphatic hydrocarbon chain, name is 2,2-Diallylpent-4-en-1-amine, and the molecular formula is C11H19N, Computed Properties of 928836-00-4.

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

Takacs, James M. published the artcileCatalytic iron-mediated ene carbocyclizations: formal [4+4]-ene reactions of triene esters, Formula: C15H15OP, the publication is Tetrahedron (1990), 46(16), 5507-22, database is CAplus.

2-Substituted 2,7,9-decatrienoates, e.g., I, undergo an iron-catalyzed carbocyclization to yield trans-disubstituted cyclopentanes, e.g., II, in moderate-to-good chem. yields. The cyclization products are formally the result of a [4+4]-ene reaction in which cis-propenyl and 2-acryloyl functionalities are introduced as appendages to the newly formed cyclopentane ring by the cyclization. Triene ester substrates bearing an alkyl substituent at the 4- or 6-positions cyclize with high 1,2-stereoinduction to yield trisubstituted cyclopentanes in which the relative stereochem. between three contiguous stereocenters is controlled.

Tetrahedron published new progress about 4141-48-4. 4141-48-4 belongs to catalysis-chemistry, auxiliary class Aryl phosphine ligand,Mono-phosphine Ligands, name is Allyldiphenylphosphine oxide, and the molecular formula is C15H19NO5, Formula: C15H15OP.

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

Haensch, Veit G. published the artcileSustainable and highly controlled aryl couplings revealed by systematic assessment of photoactivatable linkers, Name: 4,4′-Dimethyldiphenyl, the publication is Chemical Science (2022), 13(19), 5680-5686, database is CAplus and MEDLINE.

A metal-free, photochem. alternative (“photosplicing”) for the selective preparation of a wide range of pharmaceutically important biphenyls was reported. Whereas the traceless sulfonamide linker enabled and controls the aryl coupling, unwanted toxic byproducts were released. Therefore, it designed over 25 different temporary linkers and tested them for their suitability for the photosplicing reaction in a flow reactor. A surprisingly high number of functional groups enabled light-induced aryl fusion and identified a number of linkers for environmentally friendly procedures. A thiol-ene (click) – photosplicing sequence enabled a convenient route to biaryls such as liquid crystals.

Chemical Science published new progress about 613-33-2. 613-33-2 belongs to catalysis-chemistry, auxiliary class Benzene, name is 4,4′-Dimethyldiphenyl, and the molecular formula is C14H14, Name: 4,4′-Dimethyldiphenyl.

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

Burger, Klaus published the artcileA surprising access route to ¦Á-hetero-substituted methylphosphonate esters, SDS of cas: 6972-05-0, the publication is Chemiker-Zeitung (1988), 112(3), 108-9, database is CAplus.

A mixture of 2,2-bis(trifluoromethyl)oxazolone I and P(OMe)₃ reacts with thiourea, as well as with N,N-dimethylthiourea, morpholinothioamide, and thioacetamide to give 65% (MeO)₂P(O)CH(SMe)NHCH(CF₃)₂.

Chemiker-Zeitung 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