Month: October 2022

Zhou, Haipin; Liu, Yanpeng; Xia, Haidong; Xu, Jinyi; Wang, Tingfang; Xu, Shengtao published the artcile< Direct Transformation of Alkylarenes into N-(Pyridine-2-yl)amides by C(sp3)-C(sp3) Bond Cleavage>, Quality Control of 2725-82-8, the main research area is pyridineylamide preparation alkylarene transformation carbon bond cleavage.

C(sp3)-H bond functionalization and C(sp3)-C(sp3) bond cleavage are very challenging transformations in chem. Herein, the authors report a mild and green methodol. for the construction of N-(pyridine-2-yl)amides via tandem C(sp3)-H activation/C-C bond cleavage of alkylarenes. Various N-heterocyclic amides were directly synthesized from alkylarenes in water in moderate to good yields.

European Journal of Organic Chemistry published new progress about Alkylarenes Role: RCT (Reactant), RACT (Reactant or Reagent). 2725-82-8 belongs to class bromides-buliding-blocks, and the molecular formula is C8H9Br, Quality Control of 2725-82-8.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Hu, Beibei; Liu, Tong-Xin; Zhang, Pengling; Liu, Qingfeng; Bi, Jingjing; Shi, Lei; Zhang, Zhiguo; Zhang, Guisheng published the artcile< N-Heterocyclic Carbene-Catalyzed α,β-Unsaturated Aldehydes Umpolung in Fullerene Chemistry: Construction of [60]Fullerene-Fused Cyclopentan-1-ones and Cyclohex-2-en-1-ones>, HPLC of Formula: 3893-18-3, the main research area is fullerene fused cyclopentanone cyclohexenone preparation unsaturated aldehyde umpolung cycloacylation; heterocyclic carbene catalyzed unsaturated aldehyde umpolung cycloacylation.

The first umpolung strategy for the cycloacylation of fullerene using a N-heterocyclic carbene organocatalyst is reported. The coupling of [60]fullerene with different structural α,β-unsaturated aldehydes efficiently furnishes interesting [60]fullerene-fused cyclopentan-1-ones or cyclohex-2-en-1-ones in good to excellent yields. This new reaction displays a wide substrate scope and excellent functional-group tolerance, and diverse substituents such as aryl, heteroaryl, alkenyl, alkyl, and ester can be installed by using the corresponding enals.

Organic Letters published new progress about Acylation (cyclo). 3893-18-3 belongs to class bromides-buliding-blocks, and the molecular formula is C9H7BrO, HPLC of Formula: 3893-18-3.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Liu, Yu-Te; Cheng, Chi-Wei; Lu, Huan-Chang; Chang, Ting-Yu; Chen, Chun-Ying; Yang, Hao-Chun; Yu, Shih-Hsien; Zehra, Syeda; Liu, Shu-Hui; Leung, Man-Kit; Lee, Kwang-Ming; Chen, Hsiu-Hui published the artcile< One-Pot CuI/DBU-Catalyzed Carboxylative Cyclization toward Oxazolidinones Using Recyclable Molecular Sieves as Efficient Promoters for Fixation of CO2 in Water Medium>, Category: bromides-buliding-blocks, the main research area is oxazolidinone preparation carboxylative cyclization recyclable mol sieves fixation water.

An efficient one-pot synthesis of oxazolidinones was developed through CuI/DBU/MS joint system-catalyzed carboxylative cyclization of arylacetylene, arylaldehyde, and arylamine in water medium under a 1 atm carbon dioxide (CO2) atm. The 4 Å mol. sieves (MSs) were added to improve CO2 capture and facilitate carboxylation to give the products in high yields. The CuI/DBU/MS system is robust and highly effective for the reactions with different substrates, and some target products were obtained in an excellent yield of ~96%, with no side products in the final step.

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

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Friedrich, Karlheinz; Oester, Hans published the artcile< The preparation of aromatic polyhydroxy compounds and polyhydroxycarboxylic acids. VII. Bromo derivatives of 4-hydroxybenzoic acid>, Recommanded Product: 2-Bromo-4-nitrobenzoic acid, the main research area is .

Various methods for the preparation of 2,4-Br(HO)C6H3CO2H (I) and 2,3,5,4-Br3(HO)C6HCO2H (II) were investigated. A general method was described for oxidation of aliphatic side chains in the o-position to Br in the aromatic ring. 2,4-Br(O2N)C6H3Me (4 g.) and 50 cc. dilute HNO3 (1 volume HNO3, d. 1.5, and 2.5 volumes H2O) heated 3-4 hrs. with 1 drop Hg in a sealed tube at 130°, the mixture cooled, filtered, the residue dissolved in dilute aqueous NaOH, the solution filtered, and acidified gave 3.5 g. 2,4-Br(O2N)C6H3CO2H (III), needles, m. 162-4° (H2O). 2,6,4-Br2(O2N)C6H2Me (4 g.) oxidized similarly during 4 hrs. at 135-40° gave 1.5 g. 2,6,4-Br2(O2N)C6H2CO2H (IV), m. 195-8°. III (4 g.) in 50 cc. MeOH hydrogenated over Raney Ni yielded 40% 2,4-Br(H2N)C6H3CO2H (V), m. 198-200° (H2O). V (5 g.) in dilute H2SO4 diazotized, heated to boiling until the N evolution ceased, cooled, concentrated, and filtered yielded 2.8 g. I, m. 206-8° (H2O), dark yellow with FeCl3. I (4 g.) in 40 cc. AcOH and a small amount of Fe powder treated at 10° with 7 g. Br in 30 cc. AcOH with stirring, the mixture kept overnight, and filtered gave 3.6 g. II, m. 222-5° (aqueous EtOH). I with the appropriate amount of Br gave 60% 2,5,4-Br2(HO)C6H2CO2H, m. 218-20°. III and IV with CH2N2-Et2O gave 80% Me ester (VI) of III, m. 152°, and Me ester of IV, m. 82-4°, resp. VI (8 g.) in 150 cc. 10% HCl treated at 60-70° with 8 g. powd. Fe, the mixture heated to 90°, filtered hot, treated with a small amount of concentrated HCl, filtered, the residue in dilute EtOH treated with a few cc. 2N NaOH, heated to boiling, filtered, and cooled gave 4 g. Me ester (VII) of V, needles, m. 85-6°. VII (3 g.) diazotized and refluxed gave 2 g. Me ester of I, violet with aqueous FeCl3. I (3 g.) treated with CH2N2-Et2O, the resulting oil saponified with excess 40% KOH, and acidified with dilute HCl gave 2,4-Br(MeO)C6H3CO2H, needles, m. 196-7°. The following compounds were prepared by standard procedures: acetate of I, m. 153-4°; N-Ac derivative of VII, m. 52-3°; 2,6,4-Br2(O2N)-C6H2CO2H (VIII), m. 195-8°; 4-NH2 analog of VIII, m. 233-4°; Me ester of VIII, m. 142-5°; 4-OH analog of VIII, m. 218-20°.

Chemische Berichte published new progress about Acids. 16426-64-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H4BrNO4, Recommanded Product: 2-Bromo-4-nitrobenzoic acid.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Zhao, Tian-Yuan; Xiao, Li-Jun; Zhou, Qi-Lin published the artcile< Nickel-Catalyzed Desymmetric Reductive Cyclization/Coupling of 1,6-Dienes: An Enantioselective Approach to Chiral Tertiary Alcohol>, Product Details of C8H6BrFO2, the main research area is chiral tertiary alc preparation enantioselective; diene desym reductive cyclization coupling nickel catalyst; 1,6-Dienes; Asymmetric Reductive Coupling; Desymmetric Catalysis; Nickel Catalysis; Tertiary Alcohols.

Authors have developed a nickel-catalyzed desym. reductive cyclization/coupling of 1,6-dienes. The reaction provides an efficient method for constructing a chiral tertiary alc. and a quaternary stereocenter by a single operation. The method has excellent diastereoselectivity and high enantioselectivity, a broad substrate scope, as well as good tolerance of functional groups. Preliminary mechanism studies show that alkyl nickel(I) species are involved in the reaction.

Angewandte Chemie, International Edition published new progress about Alkadienes Role: RCT (Reactant), RACT (Reactant or Reagent). 6942-39-8 belongs to class bromides-buliding-blocks, and the molecular formula is C8H6BrFO2, Product Details of C8H6BrFO2.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

El-Marrouki, Dalel; Touchet, Sabrina; Abdelli, Abderrahmen; M’Rabet, Hedi; Efrit, Mohamed Lotfi; Gros, Philippe C. published the artcile< Tuneable access to indole, indolone, and cinnoline derivatives from a common 1,4-diketone Michael acceptor>, Category: bromides-buliding-blocks, the main research area is indole preparation; cinnoline preparation; diketone primary amine Michael; 1,4-diketone; N-heterocycle; cinnoline; indole; indolone.

A straightforward and metal-free strategy for the synthesis of nitrogen-containing heterocyclic moieties, indoles I [R1 = Me, Et; R2 = Bn, CH(Me)Ph, CH2(CH2)2NMe2, etc.], indolones II [R3 = Me, Et, Ph; R4 = Bn, 4-BrC6H4, 4-pyridylmethyl, etc.] and cinnolines III [R5 = Me, Ph, 2-thienyl, etc.; R6 = H, Me] was developed via Michael reaction 1,4-diketones and primary amines. The protocols developed here used mild conditions, were functional-group tolerant, transition-metal-free, proceeded in moderate to good yield.

Beilstein 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, Category: bromides-buliding-blocks.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Grasel, Fabio Dos Santos; Charao De Oliveira, Tiago; Fontoura, Luiz Antonio Mazzini; Rigotti, Italo Jose Da Cruz; Netz, Paulo Augusto published the artcile< N-arylamides and N-arylcarbamates N-CO internal rotation barrier study by molecular modeling>, Name: tert-Butyl (4-bromophenyl)(methyl)carbamate, the main research area is arylamide arylcarbamate internal rotation barrier mol modeling.

Amides and carbamates present an energetic barrier associated to N-C(O) bond rotation, which determines two different equilibrium geometries. In this work, the conformational equilibrium of formanilide, acetanilide, Me and t-Bu phenylcarbamates, and their N-methylderivatives was studied by AM1 and B3LYP/6-31G(d,p) calculations The effect of aryl p-substituents (MeO, Me, Cl, Br, CN, and NO2) was also studied. Amide barriers were found by DFT calculation between 12 and 21 kcal/mol. Carbamates, on the other hand, showed barriers between 11 and 15 kcal/mol. AM1 underestimates the energetic barriers and provides values around half those obtained by B3LYP/6-31G(d,p) calculations Electron withdrawing substituents on aryl group decrease the barrier. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012.

International Journal of Quantum Chemistry published new progress about Bond angle, dihedral. 639520-70-0 belongs to class bromides-buliding-blocks, and the molecular formula is C12H16BrNO2, Name: tert-Butyl (4-bromophenyl)(methyl)carbamate.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Li, Yiming; Wang, Yuhong; Yang, Tilong; Lin, Zhenyang; Jiang, Xuefeng published the artcile< Selenium-catalyzed intramolecular atom- and redox-economical transformation of o-nitrotoluenes into anthranilic acids>, Reference of 20776-50-5, the main research area is nitrotoluene selenium catalyst redox reaction mechanism; anthranilic acid preparation.

Herein, a straightforward strategy to transform abundant o-nitrotoluenes into biol. and pharmaceutically significant AAs without any extra reductants, oxidants and protecting groups was demonstrated. Various sensitive groups, such as halogens, sulfide, aldehyde, pyridines, quinolines, etc., can be tolerated in this transformation. A hundred-gram-scale operation was realized efficiently with almost quant. selenium recycling. Further mechanistic studies and DFT calculations disclosed the proposed atom-exchange processes and the key roles of the selenium species.

Green Chemistry published new progress about Aminobenzoic acids Role: SPN (Synthetic Preparation), PREP (Preparation). 20776-50-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H6BrNO2, Reference of 20776-50-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Zhang, Shishen; Chen, Kelong; Peng, Wen; Huang, Jianhua published the artcile< g-C3N4/Uio-66-NH2 nanocomposites with enhanced visible light photocatalytic activity for hydrogen evolution and oxidation of amines to imines>, Synthetic Route of 3959-07-7, the main research area is water splitting photocatalysis photooxidation amine imine nanocomposite MOF.

G-C3N4/Uio-66-NH2 (CNUIO) nanocomposites were prepared by growing an NH2-mediated zirconium-based metal-organic framework (Uio-66-NH2) in the presence of g-C3N4 nanotubes. CNUIO exhibited efficient photocatalytic performance in the oxidation of amines to imines and hydrogen production under visible light illumination. The optimal Uio-66-NH2 content in CNUIO was 16.7 wt% with a H2-generation rate of 152.2μmol h-1, which is about 1.7 and 39 times as high as those of g-C3N4 and Uio-66-NH2, resp. The optimal conversion rate of benzylamine was 58.9%, which is about 3.4 and 10.5 times as high as those of g-C3N4 and Uio-66-NH2, resp. The probable photocatalytic mechanism of the CNUIO composite was investigated. This work provides a new insight into the fact that g-C3N4/MOF photocatalysts have great potential application in hydrogen production and organic synthesis.

New Journal of Chemistry published new progress about Aromatic 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

Chen, Lu; Tian, Jun; Zhan, Yizhou; Ren, Jun; Wang, Zhong-Wen published the artcile< Lewis Acid-Catalyzed Intramolecular [3+2] Cross-Cycloaddition of Donor-Acceptor Epoxides with Alkenes for Construction of Oxa-[n.2.1] Skeletons>, COA of Formula: C8H4BrNO, the main research area is oxa skeleton preparation; epoxide alkene cycloaddition.

The first LA-catalyzed [3+2] intramol. cross-cycloaddition of GDA-epoxides with carbon-carbon double bonds was developed for construction of bridged oxa-[n.2.1] skeletons I [R1 = H, 7-F, 7-Me, etc.; R2 = R3 = Me, OMe].

Chinese Journal of Chemistry published new progress about Alkenes Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 89003-95-2 belongs to class bromides-buliding-blocks, and the molecular formula is C8H4BrNO, COA of Formula: C8H4BrNO.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary