Month: October 2022

Boyaala, Rabab; Touzani, Rachid; Roisnel, Thierry; Dorcet, Vincent; Caytan, Elsa; Jacquemin, Denis; Boixel, Julien; Guerchais, Veronique; Doucet, Henri; Soule, Jean-Francois published the artcile< Catalyst-Controlled Regiodivergent C-H Arylation Site of Fluorinated 2-Arylpyridine Derivatives: Application to Luminescent Iridium(III) Complexes>, Computed Properties of 401-78-5, the main research area is fluorinated arylpyridine arylquinoline carbon hydrogen bond arylation palladium catalyst; palladium ruthenium catalyzed carbon hydrogen arylation fluorinated arylpyridine derivative; fluoro arylpyridine arylquinoline cyclometalated iridium preparation crystal mol structure; photophys mol structure calculation fluoro arylpyridine arylquinoline cyclometalated iridium.

Regiodivergent C-H bond arylation of fluorinated 2-arylpyridines and 2-arylquinolines has been developed. The use of Pd catalyst allows functionalization of the C-H bond of the aryl flanked by two fluorine atoms (most acidic position), while using Ru catalyst, the arylation takes place on the aryl unit at the ortho position of the heterocycle. Both reaction conditions exhibit a good functional group tolerance. The synthetically useful selectivity observed with Pd catalyst was applied to design C^N ligands for the preparation of luminescent cationic iridium(III) complexes. The influence of the incorporated aryl group onto the fluorinated Ph unit and the fluorine position patterns on the photophys. properties is described.

ACS Catalysis published new progress about Crystal structure. 401-78-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H4BrF3, Computed Properties of 401-78-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Wu, Zhenyu; Huang, Xiubing; Li, Xiangjun; Hai, Guangtong; Li, Baozhen; Wang, Ge published the artcile< Covalent-organic frameworks with keto-enol tautomerism for efficient photocatalytic oxidative coupling of amines to imines under visible light>, Application In Synthesis of 3959-07-7, the main research area is amine imine covalent organic framework photocatalytic oxidation.

Photocatalytic oxidation of organic mols. into highly value-added products is an innovative and challenging research which has gradually attracted remarkable attention of scientists. In this work, it is demonstrated that the COF-TpPa with keto-enol tautomerism equilibrium structure shows excellent performance (yield>99% after 8 h) in the selective photocatalytic oxidative coupling of amines to imines under visible light irradiation It is revealed that three kinds of reactive oxygen species (superoxide radical, hydroxyl radical and singlet oxygen) participate in this photocatalytic oxidation reaction. In addition, hydrogen protons cleaved from the benzyl are proven to be reduced to hydrogen in the conduction band of COF-TpPa in anaerobic atm., accompanied with the formation of imines. The direct hydrogen evolution from amine provides an effective way to extract clean energy from organic mol. as well as the production of value-added chems. As a contrast, COF-LZU1 with similar structure and chem. composition to COF-TpPa but without keto-enol tautomerism exhibits worse optical properties and photocatalytic performance. It is also demonstrated that keto-enol tautomerism favors the adsorption of benzylamine based on the characterization results and theor. calculations

Science China: Chemistry published new progress about Adsorption. 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, Application In Synthesis of 3959-07-7.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Rios, Ramon; Ibrahem, Ismail; Vesely, Jan; Sunden, Henrik; Cordova, Armando published the artcile< Organocatalytic asymmetric 5-hydroxypyrrolidine synthesis: a highly enantioselective route to 3-substituted proline derivatives>, Related Products of 3893-18-3, the main research area is hydroxypyrrolidine proline substituted asym synthesis; acylaminomalonate organocatalytic tandem reaction unsaturated aldehyde.

The highly enantioselective organocatalytic tandem reaction between 2-acylaminomalonates and α,β-unsaturated aldehydes is presented. The reaction is a direct entry to 5-hydroxypyrrolidines and 3-substituted proline derivatives, which are furnished in high yields and 90-99% ee.

Tetrahedron Letters published new progress about Acylation. 3893-18-3 belongs to class bromides-buliding-blocks, and the molecular formula is C9H7BrO, Related Products of 3893-18-3.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Tung, Truong Thanh; Huy, Luong Xuan published the artcile< Metal-free synthesis of 2-mercaptobenzothiazoles and 6-(4-substituted-1H-1,2,3-triazol-1-yl)-2-mercaptobenzothiazoles via microwave-assisted synthesis pathway>, Product Details of C9H12BrN, the main research area is triazolyl mercaptobenzothiazole preparation metal free; haloaniline isopropylxanthic acid potassium salt cyclization microwave irradiation.

A simple, efficient, and metal-free methodol. for the preparation of 2-mercaptobenzothiazole and derivatives in excellent yields via microwave-assisted pathway is reported. These conditions provide a convenient protocol for the synthesis of a diverse collection of 2-mercaptobenzothiazoles I (R = 4-Me, 6-CF3, 6-OMe, etc.) and 6-(4-substituted-1H-1,2,3-triazol-1-yl)-2-mercaptobenzothiazoles II (R = 4-Ph, 4-Et-C6H4, 3-OMe-C6H4, etc.) with a very simple purification process. This report provides an alternative protocol for fast access to the wide range of compounds for sequence synthesis and biol. studies.

Synthetic Communications published new progress about Anilines Role: RCT (Reactant), RACT (Reactant or Reagent). 51605-97-1 belongs to class bromides-buliding-blocks, and the molecular formula is C9H12BrN, Product Details of C9H12BrN.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Fernandez, Maitane; Uria, Uxue; Vicario, Jose L.; Reyes, Efraim; Carrillo, Luisa published the artcile< Enantioselective Conjugate Addition of Donor-Acceptor Hydrazones to α,β-Unsaturated Aldehydes through Formal Diaza-Ene Reaction: Access to 1,4-Dicarbonyl Compounds>, Recommanded Product: 3-(4-Bromophenyl)acrylaldehyde, the main research area is donor acceptor hydrazone enal conjugate addition formal diaza ene; conjugate addition adduct hydride shift oxidation; carboxylic acid gamma hydrazono stereoselective organocatalytic preparation; dicarbonyl stereoselective preparation.

Donor-acceptor monosubstituted hydrazones participate as suitable reagents able to undergo an enantioselective formal diaza-ene reaction with α,β-unsaturated aldehydes under chiral secondary amine catalysis. This constitutes a new approach for the enantioselective conjugate addition of hydrazones to enals under metal-free conditions and leads to the formation of γ-hydrazono carboxylic acids after oxidation/[1,3]-H shift. The methodol. is also useful for the synthesis of enantioenriched β-substituted α-keto-1,5-diesters by using the hydrazone moiety as a masked carbonyl group.

Journal of the American Chemical Society published new progress about Aliphatic acids Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation) (γ-hydrazono). 3893-18-3 belongs to class bromides-buliding-blocks, and the molecular formula is C9H7BrO, Recommanded Product: 3-(4-Bromophenyl)acrylaldehyde.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Bouamrane, Soukaina; Khaldan, Ayoub; Maghat, Hamid; Ajana, Mohammed Aziz; Bouachrine, Mohammed; Lakhlifi, Tahar published the artcile< In-silico design of new triazole analogs using QSAR and molecular docking models>, Name: 4-Bromobenzylamine, the main research area is triazole preparation docking antifungal QSAR.

The 3D-QSAR using CoMFA and CoMSIA were carried out on series of novel triazole analogs I [R = NEt, N(CH2)3, NCH2C6H4, etc.] as antifungal agents specially to treat candida albicans. The CoMFA and CoMSIA models using twelve mols. in the training set gives a Q2 of 0.53 and 0.34 resp., and high values of R2(0.99 and 0.96 resp.). CoMFA and CoMSIA models produced the contour maps to figure out the structural requirements that influence the activity and consequently propose new mols. with high predicted activities. Mol. docking was performed to affirm the stability of the predicted compounds in the receptor with PDB code: 4uym.

Rhazes: Green and Applied Chemistry published new progress about Fungicides. 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, Name: 4-Bromobenzylamine.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Sun, Bin; Shi, Rongcheng; Zhang, Kesheng; Tang, Xiaoli; Shi, Xiayue; Xu, Jiayun; Yang, Jin; Jin, Can published the artcile< Photoinduced homolytic decarboxylative acylation/cyclization of unactivated alkenes with α-keto acid under external oxidant and photocatalyst free conditions: access to quinazolinone derivatives>, Recommanded Product: 2-Amino-4-bromobenzoic acid, the main research area is acyl tricyclic quinazolinone preparation green chem self catalyst; quinazolinone alkene alpha keto acid photoinduced decarboxylative acylation cyclization.

A novel and green strategy for the synthesis of acylated quinazolinone derivatives via photo-induced decarboxylative cascade radical acylation/cyclization of quinazolinone bearing unactivated alkenes has been developed. The protocol provides a novel route to access acyl radicals from α-keto acids through a self-catalyzed energy transfer process. Most importantly, the reaction proceeded smoothly without any external photocatalyst, additive or oxidant, and could be easily scaled-up in flow conditions with sunlight irradiation

Chemical Communications (Cambridge, United Kingdom) published new progress about Alkenes Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 20776-50-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H6BrNO2, Recommanded Product: 2-Amino-4-bromobenzoic acid.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Sun, Yue; Yang, Zi-Hui; Gu, Wen published the artcile< Synthesis, crystal structure and antifungal activity of new furan-1,3,4-oxadiazole carboxamide derivatives>, Formula: C7H8BrN, the main research area is furan oxadiazole carboxamide preparation antifungal activity crystal structure.

A series of novel furan-1,3,4-oxadiazole carboxamide derivatives I (R = H, Me, Br, Cl, F) were designed, synthesized and characterized by spectroscopic methods including HR-MS, 1H- and 13C-NMR. The crystal structure of compound I (R = Br) was determined by single-crystal X-ray diffraction. The compound crystallizes in the triclinic system, space group P1 with a = 4.7261(5), b = 10.4672(11), c = 14.5886(13) Å, α = 106.081(4)°, β = 91.043(3)°, γ = 99.456(4)°, Z = 2, V = 682.48(12) Å3, Mr = 348.16, Dc = 1.694 Mg/m3, S = 1.008, μ = 3.025 mm-1, F(000) = 348, the final R = 0.0775 and wR = 0.2080 for 2774 observed reflections (I > 2σ(I)). There are two kinds of hydrogen bonds (N(3)-H(3A)…N(2) and C(8)-H(8A)…O(3)) present in its crystal structure. The preliminary antifungal assay showed that compounds I (R = Cl, F) exhibited significant antifungal activities against several plant pathogenic fungi.

Chinese Journal of Structural Chemistry published new progress about Amides Role: PAC (Pharmacological Activity), PRP (Properties), SPN (Synthetic Preparation), THU (Therapeutic Use), BIOL (Biological Study), PREP (Preparation), USES (Uses). 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, Formula: C7H8BrN.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Xia, Dong; Duan, Xin-Fang published the artcile< Tandem vinyl radical Minisci-type annulation on pyridines: one-pot expeditious access to azaindenones>, Product Details of C8H9Br, the main research area is azaindenone preparation regioselective; pyridine alkylative alkenylative tandem annulation.

A new regiospecific alkylative/alkenylative cascade annulation of pyridines e.g., I has been achieved while the corresponding classic Minisci alkylative annulation failed. This protocol provides a novel and expeditious access to azaindenones and related compounds e.g., II via cross-dehydrogenative coupling with the long-standing problem of C2/C4 regioselectivity of pyridines being well addressed.

Chemical Communications (Cambridge, United Kingdom) published new progress about Cyclization (alkylative, alkenylative, regioselective). 2725-82-8 belongs to class bromides-buliding-blocks, and the molecular formula is C8H9Br, Product Details of C8H9Br.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Kalva, Nagendra; Tran, Chinh Hoang; Lee, Min Woong; Augustine, Rimesh; Lee, Soo Jeong; Kim, Il published the artcile< Aggregation-induced emission-active hyperbranched polymers conjugated with tetraphenylethylene for nitroaromatic explosive detection>, Reference of 184239-35-8, the main research area is fluorescence aggregate nitroarom explosive detection solid state sensor.

This work develops a facile synthesis for aggregation-induced emission (AIE)-active hyperbranched polyglycidols (HPGs) to design a solid-state sensor for detecting nitroarom. explosives. The tetraphenylethylene moieties were conjugated onto the periphery of the HPGs in a single step using dynamic boronate ester cross-linkers. The resulting AIE-active HPGs exhibited excellent AIE characteristics in THF (THF)/H2O mixtures, emitting a strong blue fluorescence under UV irradiation Dynamic light scattering and transmission electron microscopic analyses demonstrated that the self-assembled nanosized aggregates were stable in the THF/H2O mixture The fluorescence of the aggregates was dramatically quenched by various nitro compounds, including 2,4,6-trinitrophenol (or picric acid; PA), 2,6-dinitrophenol, 4-nitrophenol, 4-nitrotoluene, and nitromethane. The nano-aggregates exhibited extraordinary sensitivity towards PA, with a Stern-Volmer constant (Ksv) of 2.27 x 104 M-1 and a limit of detection of 40 ppb. Paper strips encapsulating the aggregates exhibited a vivid visual quenching, promising the practical applicability of these polymers as solid-state sensors for the detection of nitroarom. explosives.

Dyes and Pigments published new progress about Aggregates. 184239-35-8 belongs to class bromides-buliding-blocks, and the molecular formula is C26H18Br2, Reference of 184239-35-8.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary