Tag: M.W=150-200

Thorve, Pradip Ramdas; Maji, Biplab published the artcile< Deaminative Olefination of Methyl N-Heteroarenes by an Amine Oxidase Inspired Catalyst>, Reference of 3959-07-7, the main research area is diaryl olefin preparation diastereoselective; methyl heteroarene primary amine deaminative olefination phenanthrolinedione catalyst.

The bioinspired o-quinone cofactor catalyzed aerobic primary amine ArCH2NH2 (Ar = Ph, 2-chlorophenyl, furan-2-yl, etc.) dehydrogenation for a cascade olefination reaction with nine different Me N-heteroarenes, including pyrimidines such as 4-Me pyrimidine, N-benzyl-4-methylpyrimidin-2-amine and N,N-dibenzyl-4-methylpyrimidin-2-amine, 2-methylpyrazine, pyridines such as 4-methylpyridine, 5-bromo-2-methylpyridine, 2-methylpyridine, etc.; quinolines such as 2-methylquinoline, 2,6-dimethylquinoline, 6-methoxy-2-methylquinoline and 4-methylquinoline, 2-methylquinoxaline, benzimidazoles such as 1-benzyl-2-methyl-1H-1,3-benzodiazole and 1-benzyl-5,6-dichloro-2-methyl-1H-1,3-benzodiazole, 2-methyl-1,3-benzoxazole, 2-methyl-1,3-benzothiazole and 2,4,6-trimethyl-1,3,5-triazine were explored. An o-quinone catalyst phd (1,10-phenanthroline-5,6-dione) combined with a Bronsted acid such as TfOH catalyzed the reaction. N-Heteroaryl stilbenoids RCH=CHAr (R = pyridin-2-yl, pyrimidin-4-yl, 1,3-benzoxazol-2-yl, etc.) were synthesized in high yields and (E)-selectivities under mild conditions using oxygen (1 atm) as the sole oxidant without the need of transition-metal salt, ligand, stoichiometric base, or oxidant.

Organic Letters published new progress about Aryl alkenes Role: SPN (Synthetic Preparation), PREP (Preparation). 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, Reference of 3959-07-7.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Zhen, Cian-Jhe; Lu, Shu-Feng; Lin, Min-Hwa; Wu, Jay-Tai; Chao, Ito; Lin, Chih-Hsiu published the artcile< Singlet Biradical Versus Triplet Biradical/Zwitterion Characteristics in Isomers of C6-C5-C6-C7-C6-Fused Pentacyclic Aromatic Hydrocarbons Revealed through Reactivity Patterns>, Category: bromides-buliding-blocks, the main research area is fused pentacyclic aromatic hydrocarbon biradical zwitterion structure property relationship; biradical; polycyclic aromatic hydrocarbons; structure property relationship; zwitterion.

Among various polycyclic aromatic hydrocarbons, C6-C5-C6-C7-C6 fused pentacyclic aromatic hydrocarbons have the unique potential to adopt quinonoid, zwitterion, singlet, or triplet biradical electronic configurations. Two such hybrid structures between pentacene and azulene were synthesized and their ground state electronic configurations were deduced from the reactivity patterns they exhibit resp. Compound I, where the radicaloid carbons are linked through a para-phenylene, forms a head-to-head dimer like a singlet biradical. In contrast, isomer II, where the para-linkage was switched to meta, reacts readily with oxygen which resembles the reactivity of a triplet state. The oxidized intermediate(s) then underwent rearrangement to furnish the C6-C5-C6-C6-C6 ring contraction product 11,13-Dimesityl-13H-indeno[1,2-b]anthracene-6-carbaldehyde. Cation 12,14-Dimesityl-12,14-dihydrobenzo[5,6]cyclohepta[1,2-b]fluoren-12-ylium tetrafluoroborate, the protonated form of compound II, was synthesized, which implies compound II also reacts like a zwitterion. It was revealed the oxidative rearrangement takes place even with mesityl dibenzotropylium cation despite its perceived aromaticity. DFT calculations confirm the most stable forms of compound I and compound II are singlet and triplet diradical, which is consistent with the observed reactivity of resp. mols.

Chemistry – A European Journal published new progress about Biradicals Role: FMU (Formation, Unclassified), FORM (Formation, Nonpreparative). 576-83-0 belongs to class bromides-buliding-blocks, and the molecular formula is C9H11Br, Category: bromides-buliding-blocks.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Li, Chenglong; Shi, Yafei; Li, Pengfei; Zhang, Niu; Wang, Nan; Yin, Xiaodong; Chen, Pangkuan published the artcile< Access to Highly Luminescent N-Doped Diazaborepins with Penta-, Hexa-, and Heptagon Substructures>, Safety of 2,4,6-Trimethylbromobenzene, the main research area is luminescent N doped diazaborepin.

Two diazaborepins (BNN1 and BNN2) have been accomplished via a highly efficient pathway in the step-economic transformation. Oxidative dimerization of carbazole derivatives followed by borylation reaction gave heterocyclic diazaborepin as the key building block. Replacement of carbon moiety in traditional borepins with N-N functionality led to a significant red shift of their emissions up to 585 nm with strong red color as solids. This work offered an approach to diazaborepin-based materials for applications in light-emitting field.

Organic Letters published new progress about Borylation. 576-83-0 belongs to class bromides-buliding-blocks, and the molecular formula is C9H11Br, Safety of 2,4,6-Trimethylbromobenzene.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Mitsudome, Takato; Sheng, Min; Nakata, Ayako; Yamasaki, Jun; Mizugaki, Tomoo; Jitsukawa, Koichiro published the artcile< A cobalt phosphide catalyst for the hydrogenation of nitriles>, Formula: C7H8BrN, the main research area is nitrile cobalt phosphide hydrogenation catalyst.

The study of metal phosphide catalysts for organic synthesis is rare. We present, for the first time, a well-defined nano-cobalt phosphide (nano-Co2P) that can serve as a new class of catalysts for the hydrogenation of nitriles to primary amines. While earth-abundant metal catalysts for nitrile hydrogenation generally suffer from air-instability (pyrophoricity), low activity and the need for harsh reaction conditions, nano-Co2P shows both air-stability and remarkably high activity for the hydrogenation of valeronitrile with an excellent turnover number exceeding 58000, which is over 20- to 500-fold greater than that of those previously reported. Moreover, nano-Co2P efficiently promotes the hydrogenation of a wide range of nitriles, which include di- and tetra-nitriles, to the corresponding primary amines even under just 1 bar of H2 pressure, far milder than the conventional reaction conditions. Detailed spectroscopic studies reveal that the high performance of nano-Co2P is attributed to its air-stable metallic nature and the increase of the d-electron d. of Co near the Fermi level by the phosphidation of Co, which thus leads to the accelerated activation of both nitrile and H2. Such a phosphidation provides a promising method for the design of an advanced catalyst with high activity and stability in highly efficient and environmentally benign hydrogenations.

Chemical Science published new progress about Adsorption. 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, Formula: C7H8BrN.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Sangouard, Gontran; Zorzi, Alessandro; Wu, Yuteng; Ehret, Edouard; Schuettel, Mischa; Kale, Sangram; Diaz-Perlas, Cristina; Vesin, Jonathan; Bortoli Chapalay, Julien; Turcatti, Gerardo; Heinis, Christian published the artcile< Picomole-Scale Synthesis and Screening of Macrocyclic Compound Libraries by Acoustic Liquid Transfer>, Related Products of 3959-07-7, the main research area is macrocycle compound acoustic liquid transfer MDM2 p53 PPI; acoustic droplet ejection; combinatorial synthesis; macrocycles; picomole scale; protein-protein interactions.

Macrocyclic compounds are an attractive class of therapeutic ligands against challenging targets, such as protein-protein interactions. However, the development of macrocycles as drugs is hindered by the lack of large combinatorial macrocyclic libraries, which are cumbersome, expensive, and time consuming to make, screen, and deconvolute. Here, we established a strategy for synthesizing and screening combinatorial libraries on a picomolar scale by using acoustic droplet ejection to combine building blocks at nanoliter volumes, which reduced the reaction volumes, reagent consumption, and synthesis time. As a proof-of-concept, we assembled a 2700-member target-focused macrocyclic library that we could subsequently assay in the same microtiter synthesis plates, saving the need for addnl. transfers and deconvolution schemes. We screened the library against the MDM2-p53 protein-protein interaction and generated micromolar and sub-micromolar inhibitors. Our approach based on acoustic liquid transfer provides a general strategy for the development of macrocycle ligands.

Angewandte Chemie, International Edition published new progress about Affinity (binding). 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, Related Products of 3959-07-7.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

He, Peipei; Lv, Ying; Shang, Sensen; Chen, Bo; Liang, Hongliang; Niu, Jingyang; Dai, Wen published the artcile< Defect-Rich Core-Shell Carbon Derived from Ionic Liquid for Direct Synthesis of Imines>, Synthetic Route of 3959-07-7, the main research area is imine preparation; amine self cross coupling core shell carbon preparation catalyst; ionic liquid sodium tetraphenylborate electrostatic interaction.

Herein, ionic liquid 1-ethyl-3-methylimidazolium dicyanamide and sodium tetraphenylborate were employed as joint precursors to facilely prepare micro-mesoporous core-shell carbon with sp. surface area up to 2870 m2 g-1, consisting of smooth unpenetrated shell and secondary hollow spherical carbon core. The as-obtained core-shell carbon as metal-free catalyst exhibited good performance for self-coupling and cross-coupling of amines RCH2NH2 (R = Ph, furan-2-yl, cyclohexyl, etc.), R1NH2 (R1 = Ph, n-hexyl, cyclohexyl, etc.) to achieve the corresponding symmetry RCH=NCH2R and asymmetry imines RCH=NR1 under mild and neat conditions. Excitingly, for the challenging aliphatic amine cyclohexylmethanamine, the desired imines RCH=NCH2R (R = cyclohexyl) were achieved in 55.9% yield. The nearly linearly correlation between imine yield and ID/IG indicated that the resulting defects from departure of heteroatoms during pyrolysis may be active site.

ChemistrySelect published new progress about Amines Role: RCT (Reactant), RACT (Reactant or Reagent). 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, Synthetic Route of 3959-07-7.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Konishi, Akihito; Horii, Koki; Shiomi, Daisuke; Sato, Kazunobu; Takui, Takeji; Yasuda, Makoto published the artcile< Open-Shell and Antiaromatic Character Induced by the Highly Symmetric Geometry of the Planar Heptalene Structure: Synthesis and Characterization of a Nonalternant Isomer of Bisanthene>, Synthetic Route of 576-83-0, the main research area is difluorenoheptalene preparation aromaticity diradical character; crystal structure bond length difluorenoheptalene; oxidation reduction potential UV visible spectrum difluorenoheptalene cation; aromaticity diradical character difluorenoheptalene cation.

Difluoreno[1,9,8-alkj:1′,9′,8′-gfed]heptalenes I (R = 2,4,6-Me3C6H2, 2,6-Me2-4-t-BuC6H2) were prepared in eight steps from fluoranthene. The structures of I (R = 2,4,6-Me3C6H2) and of the dication of I (R = 2,6-Me2-4-t-BuC6H2) were determined by X-ray crystallog. The oxidation and reduction potentials and UV/visible spectra of I (R = 2,4,6-Me3C6H2) and its dication were determined Calculations of the structure and aromaticity of I indicate that the planar core of I induces antiaromaticity and diradical character, in contrast with the isomeric bisanthene core.

Journal of the American Chemical Society published new progress about Antiaromaticity. 576-83-0 belongs to class bromides-buliding-blocks, and the molecular formula is C9H11Br, Synthetic Route of 576-83-0.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Mitrea, Daiana G.; Circu, Viorel published the artcile< Synthesis and characterization of novel acylthiourea compounds used in ions recognition and sensing in organic media>, Reference of 3959-07-7, the main research area is synthesis characterization acylthiourea ion recognition colorimetric sensing; Acyl thiourea; Anion recognition; Cation recognition; Colorimetric sensors; Copper (II) detection; Fluoride detection; Organic media.

A series of novel N-acyl-N’-aryl thiourea derivatives were designed and prepared with the aim to develop dual responsive receptors for anions and cations. The structure of the new products was confirmed by NMR spectroscopy (13C and 1H), elemental anal., and IR spectroscopy. Their thermal stability was studied by thermogravimetric anal. (TG) and it was found that these acyl thiourea derivatives are stable up to 160°C. The ion recognition and sensing properties of the acyl thiourea compounds were investigated by UV-VIS absorption spectroscopy in organic media upon the addition of various salts. The UV-VIS studies revealed that these acyl thiourea derivatives are able to sense biol. important ions such as fluoride and copper (II) ions.

Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy published new progress about Colorimetric sensors. 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, Reference of 3959-07-7.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Osyanin, V. A.; Korzhenko, K. S.; Rashchepkina, D. A.; Osipov, D. V.; Klimochkin, Yu. N. published the artcile< Nucleophilic Vinylic Substitution in Perfluoroacylchromenes. Diastereoselective Synthesis of Push-Pull Enamino Ketones>, Related Products of 3959-07-7, the main research area is enamino ketone diastereoselective preparation; perfluoroacylchromene nucleophilic vinylic substitution.

The reactions of 2-perfluoroacyl-1H-benzo[f]chromenes and 6,7-dimethyl-3-trifluoroacetyl-4H-chromene with primary aliphatic amines and ammonia afforded a series of enamino ketones containing a (2-hydroxynaphthalen-1-yl)methyl or 2-hydroxybenzyl substituent in the α-position with respect to the carbonyl group, e.g., I [R = H, cyclopropyl, Bn, etc.; X = CF3, C2F5, ]. These reactions involved opening of the pyran ring, which followed aza-Michael addition as the initial step. The obtained enamino ketones were found to exist in DMSO solution as single E isomers.

Russian Journal of Organic Chemistry published new progress about Amines Role: RCT (Reactant), RACT (Reactant or Reagent). 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, Related Products of 3959-07-7.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Xu, Jitao; Li, Zhilong; Xu, Yumin; Shu, Xiaomin; Huo, Haohua published the artcile< Stereodivergent Synthesis of Both Z- and E-Alkenes by Photoinduced, Ni-Catalyzed Enantioselective C(sp3)-H Alkenylation>, Name: 1-Bromo-3-ethylbenzene, the main research area is alkylarene vinyl bromide nickel catalyst photoredox enantioselective diastereoselective alkenylation; aryl alkyl alkene preparation.

An enantioselective benzylic C(sp3)-H alkenylation of simple alkylarenes with vinyl bromides via photoinduced nickel catalysis was reported, which allowed the stereodivergent synthesis of both enantioenriched Z- and E-alkenes bearing aryl-substituted, allylic tertiary stereogenic centers. Interestingly, the tunable Z/E-selectivity was achieved by energy transfer catalysis via a judicious choice of the photocatalyst counteranion. This versatile strategy featured simple starting materials, mild reaction conditions, broad substrate scope, divergent Z- and E-selectivity and high enantioselectivities. Moreover, a formal asym. benzylic C(sp3)-H alkylation was also be achieved via a one-pot alkenylation/reduction sequence, providing a complementary strategy to address the notoriously challenging stereochem. control in C(sp3)-C(sp3) bond construction.

ACS Catalysis published new progress about Alkenes Role: PRP (Properties), RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 2725-82-8 belongs to class bromides-buliding-blocks, and the molecular formula is C8H9Br, Name: 1-Bromo-3-ethylbenzene.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary