Month: October 2022

Li, Xiangjun; Li, Zezhuo; Zhang, Kaiyue; Zhao, Danfeng; Huang, Xiubing published the artcile< Thermo-Enhanced Photocatalytic Activity in Aerobic Oxidative Coupling of Amines to Imines over Cu-Doped MIL-125-NH2>, Reference of 3959-07-7, the main research area is metal organic framework benzylamine oxidative coupling photocatalyst.

Photocatalytic oxidation of raw organic mols. to value-added chems. provides a cost-effective and sustainable strategy in organic synthesis. In this work, a series of Cu-doped MIL-125-NH2 with narrower band gaps were synthesized by a one-pot hydrothermal method and used as photocatalysts for thermo-enhanced aerobic oxidative coupling of amines to imines under visible light irradiation With optimal doping content, the conversion of benzylamine over MIL-125-NH2/Cu2% can reach 100% at 60°C under visible light irradiation for 8 h using mol. oxygen as oxidant. It is proved that doping MIL-125-NH2 with a suitable Cu content can broaden the visible light absorption range, promote the separation of photo-induced charge carriers and improve the photocatalytic performance. Moreover, the increase of reaction temperature of the photocatalytic system promotes the performance. Free radical capture experiments and ESR tests show that holes and superoxide free radicals are the main active species. Such an excellent photocatalytic performance can be attributed to the strong light absorption and more efficient electron-hole separation efficiency via the Cu-doping strategy in MIL-125-NH2 catalysts.

Asian Journal of Organic Chemistry published new progress about Metal-organic frameworks. 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

Liang, Hanzhi; Zhu, Yue; Zhao, Zhiyuan; Du, Jintong; Yang, Xinying; Fang, Hao; Hou, Xuben published the artcile< Structure-based design of 2-aminopurine derivatives as CDK2 inhibitors for triple-negative breast cancer>, Recommanded Product: 4-Bromobenzylamine, the main research area is triple neg breast cancer cyclin dependent kinase 2 2aminopurine; CDK2 inhibitor; anticancer; purine; structure-based drug design; triple-negative breast cancer.

Cyclin-dependent kinase 2 (CDK2) regulates the progression of the cell cycle and is critically associated with tumor growth. Selective CDK2 inhibition provides a potential therapeutic benefit against certain tumors. Purines and related heterocycle (e.g., R-Roscovitine) are important scaffolds in the development of CDK inhibitors. Herein, we designed a new series of 2-aminopurine derivatives based on the fragment-centric pocket mapping anal. of CDK2 crystal structure. Our results indicated that the introduction of polar substitution at the C-6 position of purine would be beneficial for CDK2 inhibition. Among them, compound 11I showed good CDK2 inhibitory activity (IC50 = 19 nM) and possessed good selectivity against other CDKs. Further in vitro tests indicated that compound 11l possesses anti-proliferation activity in triple-neg. breast cancer (TNBC) cells. Moreover, mol. dynamics simulation suggested the favorable binding mode of compound 11l, which may serve as a new lead compound for the future development of CDK2 selective inhibitors.

Frontiers in Pharmacology published new progress about Antiproliferative agents. 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, Recommanded Product: 4-Bromobenzylamine.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Karle, Isabella L.; Flippen-Anderson, Judith L.; Chiang, Joseph F.; Lowrey, Alfred H. published the artcile< The conformations of five tetra- and pentamethoxylated phenyl derivatives: Weberine analogs and polymethoprims>, HPLC of Formula: 82-73-5, the main research area is mol structure weberine analog polymethoprim; conformation weberine analog polymethoprim; tetramethoprim structure; pentamethoprim structure; methoxyisoquinoline structure.

The conformations of methoxy groups on Ph rings when there are 4 or more adjacent methoxy groups were established. In 3 of the compounds studied, the Me C atoms are placed alternately above and below the plane of the aryl group in a regular fashion, while in 2 very similar compounds there are unexpected irregularities in the rotations about the CPh-O bonds and consequent crowding of adjacent methoxy groups. Relative potential energy profiles calculated by the MM2 program for the rotation about CPh-O bonds in the free mols. do not provide any clues for the irregularities. The unexpected methoxy conformations appear to result from packing interactions. 5,6,7,8-Tetramethoxy-1,2-dimethyl-1,2,3,4-tetrahydroisoquinoline hydrochloride (1-methylweberine.HCl) is orthorhombic, space group Pbca, with a 10.262(4), b 17.865(4), and c 18.127(4) Å, d.(calculated) = 1.270 for Z = 8; R = 6.8% for 2009 reflections. 2-(2,3,4,5-Tetramethoxyphenyl)ethylamine hydrochloride is monoclinic, space group P21/a, with a 10.646(8), b 7.623(6), c 18.862(10) Å, and β 104.47(6)°; d.(calculated) = 1.244 for Z = 4; R = 7.7% for 1105 reflections. 5,6,7,8-Tetramethoxy-1-methylisoquinoline hydrochloride is triclinic, space group P1̅, with a 9.298(4), b 9.679(4), c 9.664(4) Å, α 80.77(3), β 63.44(3), and γ 70.36(3)°; d.(calculated) = 1.359 for Z = 2; R = 4.9% for 1787 reflections. 2,4-Diamino-5-(2,3,4,5-tetramethoxybenzyl)pyrimidine (tetramethoprim) is monoclinic, space group P21/n, with a 12.335(10), b 11.828(10), c 12.511(10) Å, and β 119.00(6)°; d.(calculated) = 1.33 for Z = 4; R = 10.3% for 1075 reflections. 2,4-Diamino-5-(2,3,4,5,6-pentamethoxybenzyl)pyrimidine (pentamethoprim) is triclinic, space group P1̅, with a 6.016(4), b 8.319(5), c 18.613(10) Å, α 82.73(5), β 83.58(5), and γ 89.29(5)°; d.(calculated) = 1.267 for Z = 2; R = 8.6% for 1531 reflections. Rotations about the 2 bonds linking the aryl groups are similar in pentamethoprim and trimethoprim but quite different from tetramethoprim. Relative potential energies for both conformations are similar. Only trimethoprim exhibits potent antifolate activity.

Acta Crystallographica, Section B: Structural Science published new progress about Crystal structure. 82-73-5 belongs to class bromides-buliding-blocks, and the molecular formula is C8H3BrO3, HPLC of Formula: 82-73-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Dzieszkowski, Krzysztof; Baranska, Izabela; Rafinski, Zbigniew published the artcile< Construction of Dihydropyrido[2,3-d]pyrimidine Scaffolds via Aza-Claisen Rearrangement Catalyzed by N-Heterocyclic Carbenes>, Synthetic Route of 3893-18-3, the main research area is dihydropyridopyrimidine preparation; aza Claisen rearrangement nitrogen heterocyclic carbene catalyst; unsaturated enal cyclic vinylogous amide aza Claisen rearrangement.

N-Heterocyclic carbenes (NHCs) catalyzing aza-Claisen rearrangement of α,β-unsaturated enals with cyclic vinylogous amides under oxidative conditions generating potentially biol. active dihydropyridinone-fused uracils have been developed. This strategy represents a unique NHC-activation-based path with the use of 6-aminouracils as stable α,β-diEWG cyclic vinylogous amides for the efficient synthesis of bicyclic N-unprotected lactams similar to those in many useful drugs.

Journal of Organic Chemistry published new progress about Amides Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation) (cyclic vinylogous amides). 3893-18-3 belongs to class bromides-buliding-blocks, and the molecular formula is C9H7BrO, Synthetic Route of 3893-18-3.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Yin, Biaolin; Cai, Congbi; Zeng, Guohui; Zhang, Ruoqi; Li, Xiang; Jiang, Huanfeng published the artcile< A Novel Entry to Functionalized Benzofurans and Indoles via Palladium(0)-Catalyzed Arylative Dearomatization of Furans>, Computed Properties of 81107-97-3, the main research area is benzofuran indole preparation palladium phosphine catalyst furan ring opening; furan arylation dearomatizatin palladium phosphine catalyst benzofuran indole preparation.

A novel entry to functionalized benzofurans and indoles from furans in moderate to good yields has been developed. This protocol involves palladium(0)-catalyzed dearomatizing intramol. arylation of the furan ring, formation of a π-allylic palladium complex, furan ring opening, and a β-hydride elimination sequence.

Organic Letters published new progress about Arylation (intramol.). 81107-97-3 belongs to class bromides-buliding-blocks, and the molecular formula is C7H4BrF3O, Computed Properties of 81107-97-3.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Le Coz, Erwann; Zhang, Ziyun; Roisnel, Thierry; Cavallo, Luigi; Falivene, Laura; Carpentier, Jean-Francois; Sarazin, Yann published the artcile< Barium-Catalysed Dehydrocoupling of Hydrosilanes and Borinic Acids: A Mechanistic Insight>, COA of Formula: C9H11Br, the main research area is barium catalyst dehydrocoupling mechanism kinetics hydrosilane borinic acid chemoselective; crystal structure mol barium toluene boryloxide complex preparation; alkaline earth metals; barium; borasiloxanes; density functional calculations; reaction mechanisms.

Two very rare cases of barium boryloxides, the homoleptic [Ba(OB{CH(SiMe3)2}2)2·C7H8] and the heteroleptic [{LONO4}BaOB{CH(SiMe3)2}2] stabilized by the multidentate aminoetherphenolate {LONO4}-, are presented, and their structural properties are discussed. The electron-deficient [Ba(OB{CH(SiMe3)2}2)2·C7H8] shows, in particular, resilient η6-coordination of the toluene mol. Together with its amido parents [Ba{N(SiMe3)2}2·thf2] and [Ba{N(SiMe3)2}2]2, this complex catalyzes the fast and chemoselective dehydrocoupling of borinic acids R2BOH and hydrosilanes HSiR’3, yielding borasiloxanes R2BOSiR’3 in a controlled fashion. The assessment of substrate scope indicates that, for now, the reaction is limited to bulky borinic acids. Kinetic anal. shows that the rate-limiting step of the catalytic manifold traverses a dinuclear transition state. A detailed mechanistic scenario is proposed on the basis of DFT computations, the results of which are fully consistent with exptl. data. It consists of a stepwise process with rate-determining nucleophilic attack of a metal-bound O-atom onto the incoming hydrosilane, involving throughout dinuclear catalytically active species.

Chemistry – A European Journal published new progress about Borinic acids Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 576-83-0 belongs to class bromides-buliding-blocks, and the molecular formula is C9H11Br, COA of Formula: C9H11Br.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Jiao, Zhiwei; Beiger, Jason J.; Jin, Yushu; Ge, Shaozhong; Zhou, Jianrong Steve; Hartwig, John F. published the artcile< Palladium-Catalyzed Enantioselective α-Arylation of α-Fluoroketones>, Application of C12H16BrNO2, the main research area is palladium catalyst stereoselective arylation fluoroketone.

The transition-metal-catalyzed α-arylation of carbonyl compounds is a widely practiced method for C-C bond formation. Several enantioselective versions of this process have been reported, but intermol., enantioselective coupling reactions of aryl electrophiles with α-fluoro carbonyl compounds have yet to be disclosed. We report enantioselective coupling of aryl and heteroaryl bromides and triflates with α-fluoroindanones catalyzed by palladium complexes of a BINOL-derived monophosphine and Segphos, resp. The enolates were generated directly from α-fluoroindanones in the presence of potassium phosphate base during the reactions. We also report that reactions of α-fluorotetralones occur in high yields and enantioselectivities when conducted with enolates generated by elimination of trifluoroacetate from trifluoromethyl β-diketone hydrates. These reactions were catalyzed by palladium complexes of the com. available bisphosphine Difluorphos. Thus, the formation of enantioenriched α-aryl-α-fluoroketones can be readily achieved by C-C bond formation when the appropriate palladium catalyst and α-fluoro enolate precursor were used.

Journal of the American Chemical Society published new progress about Aryl bromides Role: RCT (Reactant), RACT (Reactant or Reagent). 639520-70-0 belongs to class bromides-buliding-blocks, and the molecular formula is C12H16BrNO2, Application of C12H16BrNO2.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Jin, Zhichao; Huang, Huicai; Li, Wenjun; Luo, Xiaoyan; Liang, Xinmiao; Ye, Jinxing published the artcile< Enantioselective Organocatalytic Synthesis of Oxazolidine Derivatives through a One-Pot Cascade Reaction>, Application In Synthesis of 3893-18-3, the main research area is aryl amide unsaturated aldehyde enantioselective organocatalytic cascade reaction; oxazolidine stereoselective preparation.

An asym. organocatalytic cascade reaction of aryl amides, e.g., I, and α,β-unsaturated aldehydes which can afford a series of oxazolidine derivatives, e.g., II, has been developed. The one-pot reaction reported here can produce an oxazolidine derivative in a highly enantioselective manner and good yield with good to excellent diastereomeric ratio.

Advanced Synthesis & Catalysis published new progress about Aromatic amides Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 3893-18-3 belongs to class bromides-buliding-blocks, and the molecular formula is C9H7BrO, Application In Synthesis of 3893-18-3.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Xia, Ai-Bao; Pan, Gong-Jian; Wu, Chao; Liu, Xue-Li; Zhang, Xiao-Long; Li, Zhao-Bo; Du, Xiao-Hua; Xu, Dan-Qian published the artcile< Enantioselective One-Pot Reaction: Organocatalyzed Synthesis of Fully Functionalized Oxabicyclo[2.2.2]octanes with Seven Contiguous Stereocenters>, Product Details of C9H7BrO, the main research area is stereoselective preparation oxabicyclooctane seven contiguous stereocenter; organocatalytic stereoselective Michael Henry hemiacetalization unsaturated aldehyde ketoamide nitroalkene.

An enantioselective one-pot Michael/ Michael/ Henry/ hemiacetalization reaction between α,β-unsaturated aldehydes, α-ketoamides, and nitroalkenes under mild conditions catalyzed by a diarylprolinol silyl ether has been developed. The sequential methodol. provides a direct approach to a wide range of fully substituted chiral oxabicyclo[2.2.2]octanes with seven contiguous stereocenters in moderate to excellent yields (up to 99%), high to excellent diastereoselectivities (up to >25:1 dr), and high to excellent enantioselectivities (up to 99% ee).

Advanced Synthesis & Catalysis published new progress about Acetalization. 3893-18-3 belongs to class bromides-buliding-blocks, and the molecular formula is C9H7BrO, Product Details of C9H7BrO.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Diaz-Sanchez, Miguel; Murgu, Roxana Nicoleta; Diaz-Garcia, Diana; Mendez-Arriaga, Jose M.; Prashar, Sanjiv; Urban, Bela; Pinkas, Jiri; Lamac, Martin; Horacek, Michal; Gomez-Ruiz, Santiago published the artcile< Synergistic Effect of Cu,F-Codoping of Titanium Dioxide for Multifunctional Catalytic and Photocatalytic Studies>, HPLC of Formula: 576-83-0, the main research area is copper fluorine titanium oxide catalytic photocatalytic activity.

Titanium dioxide nanomaterials with improved catalytic and photocatalytic properties through codoping with copper and fluorine are synthesized and contain optimal textural and compositional properties, which are not possible without doping or with a single doping of Cu or F sep. The codoped systems promote the generation of a synergistic effect increasing activity of the systems in photocatalytic processes of both potential environmental or energy interest. The photocatalysts show very effective degradations of industrial and emerging contaminants such as ciprofloxacin (80% degradation) and naproxen (72% degradation) using UV light (300 W) in short periods of up to 15 min. An addnl. doping of the Cu,F-containing nanomaterials with palladium nanoparticles, makes the systems active as heterogeneous catalysts in Suzuki-Miyaura C-C coupling reactions. Interestingly, the Cu,F-containing systems do not need the doping of Pd to be active in C-C coupling showing good conversions and modest yields of biphenyl derivatives Finally, Pd-doped systems are also successfully tested in the energy-related process of the photocatalytic dehalogenation-hydrogenation of different substrates, making these systems attractive for their potential future application in the dehalogenation of plastic or biomass wastes and for the preparation of solid or liquid fuels for cleaner energy generation.

Advanced Sustainable Systems published new progress about Adsorption. 576-83-0 belongs to class bromides-buliding-blocks, and the molecular formula is C9H11Br, HPLC of Formula: 576-83-0.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary