Month: October 2022

Wang, Dan-Yang; Si, Yubing; Li, Junjie; Fu, Yongzhu published the artcile< Tuning the electrochemical behavior of organodisulfides in rechargeable lithium batteries using N-containing heterocycles>, Electric Literature of 2127-03-9, the main research area is organodisulfide tuning electrochem behavior rechargeable lithium battery.

S-S bonds in organodisulfides can break and obtain Li+ and e- in the discharge of lithium batteries. Organodisulfides provide precise lithiation sites, and therefore are valuable models for the study of redox reactions in lithium batteries. To understand their electrochem. behavior, we investigate three disulfides with different N-containing heterocycles including 2,2′-dipyridyl disulfide (2,2′-DpyDS), 4,4′-dipyridyl disulfide (4,4′-DpyDS), and 2,2′-dipyridyl disulfide-N,N’-dioxide (DpyDSDO). The three disulfides all show higher discharge voltage plateaus due to the electron-withdrawing groups: DPDS (2.20 V) < 2,2'-DpyDS (2.45 V) = 4,4'-DpyDS (2.45 V) < DpyDSDO (2.80 V). In particular, 2,2'-DpyDS exhibits an outstanding 69% capacity retention over 500 cycles. Our theor. simulations show that lithium pyridine-2-thiolate, the discharge product of 2,2'-DpyDS, forms compact clusters via N···Li···S bridges coordinated by lithium ions, which can help reduce its dissolution in liquid electrolyte, and therefore increase the cycle life. Liquid chromatog.-mass spectrometry is demonstrated to be a powerful tool for the investigation of discharge/recharge products of soluble organodisulfides in rechargeable lithium batteries. Journal of Materials Chemistry A: Materials for Energy and Sustainability published new progress about Battery cathodes. 2127-03-9 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2S2, Electric Literature of 2127-03-9.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Au-Yeung, Ka-Chun; Xiao, Dengmengfei; Shih, Wei-Chih; Yang, Hsiu-Wen; Wen, Yuh-Sheng; Yap, Glenn P. A.; Chen, Wen-Ching; Zhao, Lili; Ong, Tiow-Gan published the artcile< Carbodicarbene: geminal-Bimetallic Coordination in Selective Manner>, Synthetic Route of 3796-23-4, the main research area is palladium acetate cyclometalation reaction carbodicarbene; carbene palladium trinuclear dinuclear heterobinuclear complex preparation crystal structure; crystal structure trinuclear carbene palladium heterobinuclear gold nickel complex; mol structure trinuclear carbene palladium heterobinuclear gold nickel complex; gold nickel heterobinuclear carbene complex preparation crystal structure; carbodicarbene; carbone; double dative bond; metal-metal interaction; palladium.

The reaction of Pd(OAc)2 with free carbodicarbene (CDC) generates a Pd acetate trinuclear complex 1 via intramol. C(sp3)-H bond activation at one of the CDC Me side arms. The solid structure of 1 reveals the capability of CDC to facilitate a double dative bond with two Pd centers in geminal fashion. This is attributed to the chelating mode of CDC, which can frustrate π-conjugation within the CDC framework. Such effect maybe also amplified by ligand-ligand interaction. The formation of other gem-bimetallic Pd-Pd, Pd-Au, and Ni-Au provides further structural evidence for this proof-of-concept in selective installation. Structural anal. is supported by computational calculations based on state-of-the-art energy decomposition anal. (EDA) in conjunction with natural orbitals for chem. valence (NOCV) method.

Chemistry – A European Journal published new progress about C-H bond activation. 3796-23-4 belongs to class pyridine-derivatives, and the molecular formula is C6H4F3N, Synthetic Route of 3796-23-4.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Ungwitayatorn, Jiraporn; Wiwat, Chanpen; Matayatsuk, Chutima; Pimthon, Jutarat; Piyaviriyakul, Suratsawadee published the artcile< Synthesis and HIV-1 reverse transcriptase inhibitory activity of non-nucleoside phthalimide derivatives>, Quality Control of 56622-54-9, the main research area is phthalimide nonnucleoside derivative preparation HIV1 reverse transcriptase inhibitory activity.

A new type of non-nucleoside HIV-1 reverse transcriptase inhibitor in the phthalimide series has been synthesized from either the reaction of N-carboethoxyphthalimide with amines or phthalimide with appropriate alkyl halides. The in vitro inhibitory activity of the synthesized compounds was studied by a radiometric assay at a concentration of 200 μg/mL using poly(rA)•oligo(dT) as a template-primer and methyl-[3H]dTTP as a substrate. The three most potent compounds, I-III, exhibited IC50 values of 60.90, 98.10 and 120.75 μg/mL, resp., lower than the IC50 of delavirdine (502.22 μg/mL, using poly(rA)•oligo(dT) as a template-primer and [3H]dTTP as a substrate).

Chinese Journal of Chemistry published new progress about Cyclic imides Role: PAC (Pharmacological Activity), SPN (Synthetic Preparation), BIOL (Biological Study), PREP (Preparation). 56622-54-9 belongs to class pyridine-derivatives, and the molecular formula is C7H10N2, Quality Control of 56622-54-9.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Talik, Tadeusz; Talik, Zofia published the artcile< Nitraminopyridines. II. Reactions of nitraminomethylpyridines with phosphorus halides>, Formula: C6H7N3O2, the main research area is nitramino pyridines; pyridines nitramino.

Reactions of 2-(nitramino)pyridines and 4-(nitramino)pyridines with PCl3, PCl5, PBr3, PBr5, and PI3 were studied. The nitramino group was easily exchanged for Cl, Br, or iodine. A series of chloro-, bromo-, and iodopicolines was prepared The following pyridine homologs were used as the starting material: 2-(nitramino)-3-methylpyridine (I), 2-(nitramino)-4-methylpyridine (II), 2-(nitramino)-5-methylpyridine (III), 2-(nitramino)-6-methylpyridine (IV), 4-(nitramino)-3-methylpyridine (V), 4-(nitramino)-2-methylpyridine (VI), 4-(nitramino)-2,6-dimethylpyridine (VII), and 3-(nitramino)-2,6-dimethylpyridine (VIII). The reactions were carried out in CHCl3 with 0.5 mole excess phosphorous halide at the boiling temperature Thus, a suspension of 0.01 mole nitraminomethylpyridine in 10 ml. CHCl3 was treated, under cooling, with 2.1 g. PCl3 then refluxed 1 hr., concentrated in vacuo, decomposed with ice, neutralized with NaHCO3 and steam distilled When extracted with Et2O, and the extract worked up, the distillate gave a halopicoline. The following compounds were reported (substrate, phosphones halide, product, m.p., b.p., and % yield given): I, PCl3, 2-chloro-3-methylpyridine, -, 193°, 24.1, and 2-chloro-5-nitro-3-methylpyridine (IX) 48°, -, 11.5; II, PCl3, 2-chloro-4-methylpyridine (X), -, 194°, 72.3; III, PCl3, 2-chloro-5-methylpyridine (XI), -, 86-7°/15 mm., 60.2; IV, PCl3, 2-chloro-5-nitro-6-methylpyridine (XII), 52°, -, 11.7, and 2-amino-3-nitro-6-methylpyridine (XIII), 141°, -, 6.7, and 2-amino-5-nitro-6methylpyridine, 188°, -, 13.3; V, PCl3, 4-chloro-3-methylpyridine (XIV), -, 164°, 60.2; VI, PCl3, 4-chloro-2-methylpyridine (XV), -, 162°, 72.3; VII, PCl3, 4-chloro-2,6-dimethylpyridine (XVI), -, 177°, 86.5; I, PCl5, IX, 47°, -, 26.6, and 2-amino-5-nitro-3-methylpyridine, 254°, -, 60.2; II, PCl5, X, -, 194°, 60.2; III, PCl5, XI, -, 87°/15 mm., 56.2; IV, PCl5, XII, 52°, -, 41.2, and XIII, 141°, -, 46.7; V, PCl5, XIV, -, 164°, 84.3; VI, PCl5, XV, -, 162°, 84.3; VII, PCl5, XVI, -, 177°, 86.5; I, PBr3, 2-bromo-3-methylpyridine (XVII), -, 209°, 48.5; II, PBr3, 2-bromo-4-methylpyridine (XVIII), -, 213°, 63.6, III, PBr3, 2-bromo-5-methylpyridine (XIX), 48°, -, 62.3; IV, PBr3, 2-bromo-5-nitro-6-methylpyridine (XX), 69°, -, 32.8, and 2-amino-3-nitro-6-methylpyridine (XXI), 141°, -, 20, and 2-amino-5-nitro-6-methylpyridine (XXII), 188°, -, 40; V, PBr3, PBr3, 4-bromo-3-methylpyridine (XXIII), -, 76°/15 mm., 77.1; VI, PBr3, 4-bromo-2-methylpyridine (XXIV), -, 181°, 62.3; VII, PBr3, 4-bromo-2,6-dimethylpyridine (XXV), -, 193°, 49.4; I, PBr5, XVII, -, 209°, 71.2; II, PBr5, XVIII, -, 212°, 62.3; III, PBr5, XIX, 48°, -, 62.3; IV, PBr5, XX, 69°, -, 9.4, and XXI, 141°, -, 33.3, and XXII, 188°, -, 40.0; V, PBr5, XXIII, -, 76°/15 mm., 44.5; VI, PBr5, XXIV, -, 181°, 44.5; VII, PBr5, XXV, -, 193°, 49.4; I, PI3, 2-iodo-3-methylpyridine, -, 105°, 27; II, PI3, 2-iodo-4-methylpyridine, -, 112°, 65; III, PI3, 2-iodo-5-methylpyridine, 52°, -, 69.9; V, PI3, 4-iodo-3-methylpyridine, 46°, -, 55.9; VI, PI3, 4-iodo-2-methylpyridine, 42°, -, 83.6; VII, PI3, 4-iodo-2,6-dimethylpyridine, 99°, -, 65.7. VIII did not react with phosphorus halides. Under the conditions employed, decomposition of VIII and formation of 3-amino-2,6-dimethylpyridine was observed.

Roczniki Chemii published new progress about Group 15 element halides, phosphorus halides Role: RCT (Reactant), RACT (Reactant or Reagent). 21901-29-1 belongs to class pyridine-derivatives, and the molecular formula is C6H7N3O2, Formula: C6H7N3O2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Ebrahimi, Mahmoud; Es’haghi, Zarrin; Samadi, Fatemeh; Bamoharram, Fatemeh Farrash; Hosseini, Mohammad-Saeid published the artcile< Rational design of heteropolyacid-based nanosorbent for hollow fiber solid phase microextraction of organophosphorus residues in hair samples>, Name: 4-(Pyridin-1-ium-1-yl)butane-1-sulfonate, the main research area is organophosphorus pesticide microextraction human hair ionic liquid.

A novel heteropolyacid-based supported ionic liquid (IL) mediated sol-gel hybrid organic-inorganic is presented for effective use in hollow fiber solid phase microextraction (HF-SPME). The authors examined a Keggin-based IL that was evaluated in conjunction with sol-gel. This study shows that Keggin-based IL sol-gel generated porous morphol. pro effective extraction media. The method was developed for the extraction of the organophosphorus pesticides (OPs); diazinon, fenitrothion and malathion from human hair samples. The OPs were subsequently analyzed with HPLC and photodiode array detection (HPLC-PDA). In the basic condition (pH 10-11), the gel growth process in the presence of IL was initiated. Afterward, this sol was injected into a polypropylene hollow fiber segment for in situ-gelation process. Parameters affecting the efficiency of HF-SPME were thoroughly investigated. Linearity was observed over a range of 0.02-50,000 μg/g and 0.0001-25,000 ng/mL with detection limits between 0.0074-1.3000 μg/g and 0.00034-0.84 ng/mL for the OPs in hair and aqueous matrixes, resp. The relative recoveries in the real samples, for OPs in the storekeeper hair ranged from 86 to 95.2%.

Journal of Chromatography A published new progress about Hair. 21876-43-7 belongs to class pyridine-derivatives, and the molecular formula is C9H13NO3S, Name: 4-(Pyridin-1-ium-1-yl)butane-1-sulfonate.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Mei, Tian-Sheng; Patel, Harshkumar H.; Sigman, Matthew S. published the artcile< Enantioselective construction of remote quaternary stereocentres>, Name: (R)-4-(tert-Butyl)-2-(5-(trifluoromethyl)pyridin-2-yl)-4,5-dihydrooxazole, the main research area is trisubstituted alkenyl alc arylboronic acid palladium relay Heck arylation; aryl carbonyl compound quaternary carbon substituted stereoselective preparation.

Small mols. that contain all-carbon quaternary stereocenters-carbon atoms bonded to four distinct carbon substituents-are found in many secondary metabolites and some pharmaceutical agents. The construction of such compounds in an enantioselective fashion remains a long-standing challenge to synthetic organic chemists. In particular, methods for synthesizing quaternary stereocenters that are remote from other functional groups are underdeveloped. Here we report a catalytic and enantioselective intermol. Heck-type reaction of trisubstituted-alkenyl alcs. with aryl boronic acids. This method provides direct access to quaternary all-carbon-substituted β-, γ-, δ-, ε- or ζ-aryl carbonyl compounds, because the unsaturation of the alkene is relayed to the alc., resulting in the formation of a carbonyl group. The scope of the process also includes incorporation of pre-existing stereocenters along the alkyl chain, which links the alkene and the alc., in which the stereocenter is preserved. The method described allows access to diverse mol. building blocks containing an enantiomerically enriched quaternary center.

Nature (London, United Kingdom) published new progress about Alkenyl alcohols Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 1428537-19-2 belongs to class pyridine-derivatives, and the molecular formula is C13H15F3N2O, Name: (R)-4-(tert-Butyl)-2-(5-(trifluoromethyl)pyridin-2-yl)-4,5-dihydrooxazole.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Acharjee, Animesh; Rakshit, Atanu; Chowdhury, Suman; Datta, Indukamal; Barman, Milan Krishna; Ali, Ansar Md.; Saha, Bidyut published the artcile< Micellar catalysed oxidation of hydrophobic fatty alcohol in aqueous medium>, Synthetic Route of 123-03-5, the main research area is octanol micellar catalyst oxidation mechanism kinetics.

Oxidation of a hydrophobic fatty alc. was carried out under pseudo 1st order reaction condition in aqueous micellar medium efficiently. In addition to the dissolution of alc. micelles are found to catalyze the oxidation reaction. Use of promoters further enhanced the rate of the reaction with almost instant completion of the reaction via the formation of active oxidants (AO+). The product was confirmed by IR and NMR study. Fluorescence studies and DLS measurements were done to confirm the formation of AO+. NMR studies were carried out to establish the interaction between the surfactants and 1-Octanol. Calculated activation parameters (ΔH≠, ΔS≠) also support the exptl. findings.

Journal of Molecular Liquids published new progress about Activation enthalpy. 123-03-5 belongs to class pyridine-derivatives, and the molecular formula is C21H38ClN, Synthetic Route of 123-03-5.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Heusler, Arne; Fliege, Julian; Wagener, Tobias; Glorius, Frank published the artcile< Substituted Dihydropyridine Synthesis by Dearomatization of Pyridines>, Synthetic Route of 329214-79-1, the main research area is dihydropyridine preparation regioselective; pyridine triflic anhydride dearomatization trimethylamine borane; phenyl chloroformate pyridine dearomatization trimethylamine borane; boranes; chemoselectivity; nitrogen heterocycles; reduction; synthetic methods.

The synthesis of a broad variety of N-substituted 1,4-dihydropyridines I [R = H, 3-Me, 3,5-di-Br, etc.; R1 = Tf, CO2Ph] and 1,2-dihydropyridines II [R2 = F, Cl, CF3, Ph, SPh; R3 = H, F, trimethylsilyl] by very mild and selective reduction with amine borane was reported for the first time.

Angewandte Chemie, International Edition published new progress about Dearomatization. 329214-79-1 belongs to class pyridine-derivatives, and the molecular formula is C11H16BNO2, Synthetic Route of 329214-79-1.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Palasek, B.; Puszko, A.; Biedrzycka, Z.; Sicinska, W.; Witanowski, M. published the artcile< Nitrogen NMR shieldings of 2-amino-5-nitro-6-methylpyridines>, Application In Synthesis of 22280-62-2, the main research area is aminonitromethylpyridine NMR shielding.

Nitrogen NMR shieldings (chem. shifts) of 2-amino-5-nitro-6-methylpyridine derivatives are assessed from the point of view of substituent-induced effects under conditions where alkyl, aryl, nitro, and nitroso moieties are substituents at the amino nitrogen. The nitro nitrogen shielding reveals only little variation upon varying the substituents, and this seems to indicate that steric hindrance which is likely to force the nitro group out of the plane of the aromatic ring reduces the π-electron conjugation with the latter, and with the amino group as well. On the other side, the pyridine nitrogen shielding shows large effects of substituents at the amino moiety, which suggests a significant conjugation between the ring and the amino group. The latter effects produce a remarkable deshielding of the pyridine nitrogen in the case of nitro and nitroso substituents at the amino group.

Spectroscopy (Amsterdam) published new progress about NMR (nuclear magnetic resonance). 22280-62-2 belongs to class pyridine-derivatives, and the molecular formula is C6H7N3O2, Application In Synthesis of 22280-62-2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Zheng, Ke; Iqbal, Sarah; Hernandez, Pamela; Park, HaJeung; LoGrasso, Philip V.; Feng, Yangbo published the artcile< Design and Synthesis of Highly Potent and Isoform Selective JNK3 Inhibitors: SAR Studies on Aminopyrazole Derivatives>, Electric Literature of 56622-54-9, the main research area is aminopyrazole JNK3 enzyme inhibitor preparation structure neurodegeneration.

The c-jun N-terminal kinase 3 (JNK3) is expressed primarily in the brain. Numerous reports have shown that inhibition of JNK3 is a promising strategy for treatment of neurodegeneration. The optimization of aminopyrazole-based JNK3 inhibitors with improved potency, isoform selectivity, and pharmacol. properties by structure-activity relationship (SAR) studies utilizing biochem. and cell-based assays, and structure-based drug design is reported. These inhibitors had high selectivity over JNK1 and p38α, minimal cytotoxicity, potent inhibition of 6-OHDA-induced mitochondrial membrane potential dissipation and ROS generation, and good drug metabolism and pharmacokinetic (DMPK) properties for iv dosing. 26n was profiled against 464 kinases and was found to be highly selective hitting only seven kinases with >80% inhibition at 10 μM. Moreover, 26n showed good solubility, good brain penetration, and good DMPK properties. Finally, the crystal structure of 26k in complex with JNK3 was solved at 1.8 Å to explore the binding mode of aminopyrazole based JNK3 inhibitors.

Journal of Medicinal Chemistry published new progress about Drug metabolism. 56622-54-9 belongs to class pyridine-derivatives, and the molecular formula is C7H10N2, Electric Literature of 56622-54-9.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem