Month: October 2022

Qu, Zheng-Wang; Zhu, Hui; Grimme, Stefan published the artcile< Mechanistic Insights for Aniline-Catalyzed Halogenation Reactions>, Recommanded Product: 1-Chloropyrrolidine-2,5-dione, the main research area is anisole halosuccinimide aniline catalyst halogenation reaction mechanism.

Lewis base catalyzed electrophilic aromatic halogenation using N-halosuccinimides (NsX; X=Cl, Br, I) under mild conditions has attracted much attention, but the detailed mechanism remains elusive. Using the aniline MesNH2 and anisole PhOMe as the typical base catalyst and aromatic substrate, resp., a novel mechanism is revealed by extensive DFT calculations The autogenic protonation of imine XMes=NH (via Mes=NH+ mediated dimerization of MesNH2) is crucial to initialize the electrophilic halonium X+ transfer to nucleophilic substrates. It is shown that the aniline MesNH2 and more basic imine XMes=NH may act as efficient halonium X+ and proton H+ shuttles, resp., connected by the arenium XMesNH2+. Non-coordinating MesNH3+ salts are suggested as efficient catalyst for electrophilic iodination. Without suitable stabilization of the highly basic anion Ns-, the generally accepted concept of Lewis base catalyst as simple X+ shuttle will never work efficiently due to a high thermodn. barrier. In general, autogenic or addnl. acid additives should be used for more efficient Lewis base catalyzed halogenation.

ChemCatChem published new progress about Free energy. 128-09-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C4H4ClNO2, Recommanded Product: 1-Chloropyrrolidine-2,5-dione.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Alam, Faruk; Dey, Biplab Kr. published the artcile< Synthesis, characterization and in-vitro anti-oxidant activity of some novel 1,3,4-thiadiazole derivatives>, Product Details of C8H6ClN3S, the main research area is aryl thiadiazolyl thioureido piperidinyl hydrazinyl acetamide preparation antioxidant SAR; acetamide aromatic amino thiadiazolyl aryl preparation antioxidant SAR.

Synthesis of 1,3,4-thiadiazole derivatives I [R1 = 2-OH, 3-Cl, 4-O2N; R2 = hydrazinyl, thioureido, piperidin-1-yl] and II [R3 = PhNH, PhNHNH, Ph2N] was reported. All the synthesized compounds I and II were studied for their antioxidant activity. SAR studies revealed that the tested compounds having hydroxy and halogen substituents on the aromatic ring showed higher activity compared to those with other substituents, for e.g., II [R1 = 2-OH, R3 = PhNHNH] showed good scavenging activity.

Pharma Chemica published new progress about Amides Role: PAC (Pharmacological Activity), PRP (Properties), RCT (Reactant), SPN (Synthetic Preparation), THU (Therapeutic Use), BIOL (Biological Study), RACT (Reactant or Reagent), PREP (Preparation), USES (Uses). 70057-67-9 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H6ClN3S, Product Details of C8H6ClN3S.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Pleschke, A.; Marhold, A.; Schneider, M.; Kolomeitsev, A.; Roschenthaler, G.-V. published the artcile< Halex reactions of aromatic compounds catalysed by 2-azaallenium, carbophosphazenium, aminophosphonium and diphosphazenium salts: a comparative study>, Computed Properties of 1435-43-4, the main research area is fluoride aryl preparation; chloride aryl halogen exchange azaallenium carbophosphazenium aminophosphonium diphosphazenium catalyst.

One of the most common methods to introduce fluorine into aromatic compounds is the well-investigated halogen-exchange (Halex) reaction, in which chloro- and bromoaroms. activated towards nucleophilic substitution, react with a fluoride source to yield the corresponding fluoroarenes. In general, the reaction is supported by phase-transfer catalysts. The new classes of compounds, I (X = C, R = Me; X = Et2NP, R = Et), were found to be active phase-transfer catalysts allowing for substitution of even weakly activated halogens.

Journal of Fluorine Chemistry published new progress about Aryl chlorides Role: RCT (Reactant), RACT (Reactant or Reagent). 1435-43-4 belongs to class chlorides-buliding-blocks, and the molecular formula is C6H3ClF2, Computed Properties of 1435-43-4.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Sun, Caocao; Yin, Guoyin published the artcile< Integrating aryl chlorides into nickel-catalyzed 1,1-difunctionalization of alkenes>, Application of C6H3ClF2, the main research area is secondary benzyl boronate preparation regioselective; alkene aryl chloride bispinacolatodiboron difunctionalization nickel catalyst.

Herein, a first achievement in 1,1-difunctionalization of alkenes RCH=CH2 (R = hexyl, cyclohexyl, 3-(1H-pyrrol-1-yl)propyl, 9H-carbazol-9-ylmethyl, etc.) with aryl chlorides ArCl (Ar = Ph, 2,4-difluorophenyl, 1-[(tert-butoxy)(oxo)methane]-1H-indol-6-yl, 2H-1,3-benzodioxol-5-yl, etc.) as coupling partners was reported. The success is predominantly ascribed to the judicious selection of 1,2-diamine ligand. This study provides an efficient protocol for the synthesis of secondary benzyl boronates RCH2CH(R1)Ar (R1 = tetramethyl-1,3,2-dioxaborolan-2-yl) from easily accessible feedstock chems. Furthermore, the distinguished features of this method include excellent 1,1-regio- and chemoselectivity, good functional group tolerance and easily-operational catalytic reaction conditions.

Chinese Chemical Letters published new progress about Alkenes Role: RCT (Reactant), RACT (Reactant or Reagent). 1435-43-4 belongs to class chlorides-buliding-blocks, and the molecular formula is C6H3ClF2, Application of C6H3ClF2.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Moon, Jihyeon; Kang, Chaewon; Kang, Hyo published the artcile< Vertical alignment of liquid crystals on phenylphenoxymethyl-substituted polystyrene-PS derivatives structurally similar to LC molecules>, Product Details of C9H9Cl, the main research area is liquid crystal phenylphenoxymethyl polystyrene surface energy property; 4-phenylphenol; alignment layer; liquid crystal; polystyrene; precursor.

A series of polystyrene derivatives containing precursors of liquid crystal (LC) mols., phenylphenoxymethyl-substituted polystyrene (PPHE#; # = 5, 15, 25, 50, 75, and 100)-where # is the molar content of 4-phenylphenol using polymer modification reactions-were prepared in order to examine the effect of the polymer film, which possess similar LC mol. structure on the LC alignment properties. It was found that the Tg values of the PPHE# were higher than 100°C due to their aromatic structure in the biphenyl-based PHE moiety. The LC cells fabricated with PPHE5 and PPHE15 films exhibited planar LC alignment. Conversely, LC mols. showed a vertical alignment in LC cells made using the polymer films with phenylphenoxymethyl side groups in the range of 25-100 mol %. The polar surface energies on the PPHE# films can be associated with the vertical LC alignment on the PPHE# films. For example, vertical LC alignment was exhibited when the polar surface energy of the polymer films was less than approx. 4.2 mJ/m2. Aligning stability was observed at 200°C and UV irradiation of 20 J/cm2 for LC cells made using the PPHE100 film. Therefore, it was found that biphenyl, one of the LC precursors, modified polystyrene derivatives and can produce a next-generation vertical LC alignment system.

Polymers (Basel, Switzerland) published new progress about Contact angle. 1592-20-7 belongs to class chlorides-buliding-blocks, and the molecular formula is C9H9Cl, Product Details of C9H9Cl.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Thompson, Andrew M.; O’Connor, Patrick D.; Marshall, Andrew J.; Blaser, Adrian; Yardley, Vanessa; Maes, Louis; Gupta, Suman; Launay, Delphine; Braillard, Stephanie; Chatelain, Eric; Wan, Baojie; Franzblau, Scott G.; Ma, Zhenkun; Cooper, Christopher B.; Denny, William A. published the artcile< Development of (6R)-2-Nitro-6-[4-(trifluoromethoxy)phenoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (DNDI-8219): A New Lead for Visceral Leishmaniasis>, Category: chlorides-buliding-blocks, the main research area is DNDI8219 preparation lead visceral leishmaniasis; aryl nitroimidazooxazine.

Discovery of the potent antileishmanial effects of antitubercular 6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazoles and 7-substituted 2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazines stimulated the examination of further scaffolds (e.g., 2-nitro-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]oxazepines), but the results for these seemed less attractive. Following the screening of a 900-compound pretomanid analog library, several hits with more suitable potency, solubility, and microsomal stability were identified, and the superior efficacy of newly synthesized 6R enantiomers with phenylpyridine-based side chains was established through head-to-head assessments in a Leishmania donovani mouse model. Two such leads (R-84 and R-89) displayed promising activity in the more stringent Leishmania infantum hamster model but were unexpectedly found to be potent inhibitors of hERG. An extensive structure-activity relationship investigation pinpointed two compounds (R-6 and pyridine R-136) with better solubility and pharmacokinetic properties that also provided excellent oral efficacy in the same hamster model (>97% parasite clearance at 25 mg/kg, twice daily) and exhibited minimal hERG inhibition. Addnl. profiling earmarked R-6 as the favored backup development candidate.

Journal of Medicinal Chemistry published new progress about Drug metabolism (metabolic stability). 162046-61-9 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H4ClF3O2, Category: chlorides-buliding-blocks.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Gao, Hui; Zhang, Xia; Pu, Xiao-Jia; Zheng, Xi; Liu, Bei; Rao, Gao-Xiong; Wan, Chun-Ping; Mao, Ze-Wei published the artcile< 2-Benzoylbenzofuran derivatives possessing piperazine linker as anticancer agents>, Reference of 17082-09-6, the main research area is benzofuranylcarbonylphenyl piperazinylmethylcarbonyl piperazine antitumor antiinflammatory cytotoxicity apoptosis structure activity; 2-Benzoylbenzofuran; Anticancer activity; Apoptosis; Cytotoxicity.

A series of novel 2-benzoylbenzofuran derivatives possessing a piperazine linker, I [R = H, COCH2Cl, cyclopropylsulfonyl, COC6H4CF3-4, etc.], were prepared, and their in-vitro anticancer activity against a panel of human tumor cell lines by MTT assay was evaluated. The results demonstrated that tertiary amine derivatives exhibited better cytotoxic activity, and the SAR study revealed that electron-donating substituents on the Ph ring of the derivatization functionality contributed to potent anticancer activities. Among them, compounds I [R = H, COC6H3Cl2-3,5, COCH:CHPh, CH2C6H4CH:CHCO2Me-4, CH2COMe, CH2COC6H4OMe-4] displayed both better antitumor activity and lower cytotoxic effect on human normal liver cell L02. Further apoptosis anal. showed that compound I [R = CH2C6H4CH:CHCO2Me-4] significantly induced apoptosis in A549 cell, which was considered as the most potent anticancer agent.

Bioorganic & Medicinal Chemistry Letters published new progress about Amides Role: ADV (Adverse Effect, Including Toxicity), PAC (Pharmacological Activity), RCT (Reactant), SPN (Synthetic Preparation), THU (Therapeutic Use), BIOL (Biological Study), RACT (Reactant or Reagent), PREP (Preparation), USES (Uses). 17082-09-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C9H7ClO, Reference of 17082-09-6.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Li, Jia; Li, Yu-An; Wu, Ge; Zhang, Xu published the artcile< Metal-free aminohalogenation of quinones with alkylamines and NXS at room temperature>, Category: chlorides-buliding-blocks, the main research area is halo amino naphthalenedione preparation; naphthoquinone amine aminohalogenation; NXS; aminohalogenation; metal-free; quinones; radical reactions.

A simple and practical strategy for intermol. aminohalogenation of quinone with alkyl amines and NXS was developed for preparation of halo(amino)naphthalenediones I [X = H, Cl, Br, I; R1 = Me; R2 = 2-cyanoethyl, (4-bromophenyl)methyl, phenethyl, (3S)-3-(2-methylphenoxy)-3-phenyl-propyl; R1 = R2 = (CH2)2O(CH2)2, (CH2)2CH(OH)(CH2)2, (CH2)2CH(CO2Me)(CH2)2], in which haloamines generated in situ were employed as bifunctional reagents. The reaction system was reliable, efficient and wide in substrate range, which was suitable for the two-fold aminochlorination of 1, 4-benzoquinones, large-scale reaction and late-stage modification of pharmaceuticals.

Frontiers in Chemistry (Lausanne, Switzerland) published new progress about Halogenation (amino). 128-09-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C4H4ClNO2, Category: chlorides-buliding-blocks.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Takahashi, Kimio; Shimizu, Sumio; Ogata, Masaru published the artcile< Syntheses of phenolic metabolites of an antifungal imidazole derivative (cloconazole hydrochloride)>, Reference of 3964-57-6, the main research area is cloconazole fungicide phenolic metabolite; imidazole benzyloxystyryl phenolic metabolite; benzyloxystyrylimidazole fungicide phenolic metabolite.

Phenolic compounds I (R = OH, R1 = H) and I (R = H, R1 = OH) were prepared, and they are proposed metabolites of cloconazole I (R = R1 = H), a fungicide (no data). Phenolic compound II was etherified by 3-ClC6H4CH2Cl and NaH to yield I (R = THPO, R1 = H) and the latter was deprotected by oxalic acid to give I (R = OH, R1 = H).

Heterocycles published new progress about 3964-57-6. 3964-57-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H7ClO3, Reference of 3964-57-6.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Kalsin, Alexander M.; Peganova, Tatyana A.; Sinopalnikova, Iana S.; Fedyanin, Ivan V.; Belkova, Natalia V.; Deydier, Eric; Poli, Rinaldo published the artcile< Mechanistic diversity in acetophenone transfer hydrogenation catalyzed by ruthenium iminophosphonamide complexes>, Reference of 67421-02-7, the main research area is mechanism DFT acetophenone transfer hydrogenation ruthenium iminophosphonamide catalyst kinetics; crystal structure mol optimized ruthenium arene iminophosphonamide complex preparation.

A series of arene ruthenium iminophosphonamide complexes, [(Arene)RuCl{R2P(NR’)2}] (1), bearing various arenes and R,R’ substituents on the NPN ligand have been investigated as precatalysts in acetophenone transfer hydrogenation in basic and base-free isopropanol. The results clearly demonstrate the presence of two distinct reaction mechanisms, which are controlled by the basicity of the N-atoms. Complexes 1 in which both R’ substituents are aryl groups are only active once the neutral hydride complex [(Arene)RuH{R2P(NR’)2}] (2) is generated in basic isopropanol, the latter being able to reduce a ketone via a stepwise hydride and proton transfer. On the other hand, complexes in which at least one R’ group is Me readily catalyze the reaction in the absence of base. In the latter case, the results of kinetic studies and DFT calculations support an outer-sphere concerted asynchronous hydride and proton transfer assisted by the basic N-atom of the NPN ligand, which promotes catalysis via precoordination of an alc. mol. by hydrogen bonding.

Dalton Transactions published new progress about Activation enthalpy. 67421-02-7 belongs to class chlorides-buliding-blocks, and the molecular formula is C24H36Cl4Ru2, Reference of 67421-02-7.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics