Month: October 2022

Oi, Miku; Takita, Ryo; Kanazawa, Junichiro; Muranaka, Atsuya; Wang, Chao; Uchiyama, Masanobu published the artcile< Organocopper cross-coupling reaction for C-C bond formation on highly sterically hindered structures>, Related Products of 576-83-0, the main research area is organocopper compound aryl iodide cross coupling reaction mechanism.

A powerful, broadly applicable cross-coupling protocol that enabled carbon-carbon bond formation at highly sterically hindered carbon centers (both sp2 and sp3) by employing organocopper reagents under palladium catalysis was described. Exptl. studies and theor. calculations indicated that the key to the unique reactivity of copper was the relatively low activation energy of the compact transmetalation transition state, due to Cu(I)-Pd(II) interaction, which was associated with small values of deformation energy of the reactants. This reaction was applicable to a variety of bulky substrates, including compounds inert to previous cross-coupling chem. and has high functional group tolerance.

Chemical Science published new progress about Aryl bromides Role: PRP (Properties), RCT (Reactant), RACT (Reactant or Reagent). 576-83-0 belongs to class bromides-buliding-blocks, and the molecular formula is C9H11Br, Related Products of 576-83-0.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Dai, Xiao-Yang; Wu, Xiao-Yu; Fang, Hui-Hui; Nie, Lin-Lin; Chen, Jie; Deng, Hong-Mei; Cao, Wei-Guo; Zhao, Gang published the artcile< Enantioselective organocatalyzed cascade reactions to highly functionalized quinolizidines>, Formula: C9H7BrO, the main research area is enantioselective synthesis indoloquinolizidine benzoquinolizidine Michael addition Pictet Spengler; ketoamide unsaturated aldehyde enantioselective Michael addition Pictet Spengler organocalalyst.

An organocatalyzed one-pot Michael addition-Pictet-Spengler sequence of β-ketoamides and α,β-unsaturated aldehydes was developed, which provided access to highly substituted indolo[2,3-α]quinolizidines and benzo[α]quinolizidines in moderate to good yields and good to excellent enantioselectivity. For aromatic α,β-unsaturated aldehydes products containing a stable enol configuration, e.g. I were obtained.

Tetrahedron published new progress about Amides Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation) (β-ketoamides). 3893-18-3 belongs to class bromides-buliding-blocks, and the molecular formula is C9H7BrO, Formula: C9H7BrO.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Sun, Chen; Zhao, Huimin; Li, Wei; Jia, Yudi; Yang, Yi; Peng, Ying; Zheng, Jiang published the artcile< Icotinib induces mechanism-based inactivation of recombinant human CYP3A4/5 possibly via heme destruction by ketene intermediate>, Formula: C7H8BrN, the main research area is icotinib recombinant human CYPA heme destruction ketene intermediate.

Icotinib (ICT) is an antitumor drug approved by China National Medical Products Administration and is found to be effective against non-small cell lung cancer. The present study aimed at the interaction of ICT with CYP3A. ICT exhibited time-, concentration-, and NADPH-dependent inhibitory effect on recombinant human CYP3A4/5. About 60% of CYP3A activity was suppressed by ICT at 50 μM after 30 min. The observed enzyme inhibition could not be recovered by dialysis. Nifedipine protected CYP3A from the inactivation by ICT. The inhibitory effects of ICT on CYP3A were influenced neither by glutathione/N-acetyl lysine nor by superoxide dismutase/catalase. Incubation of ICT with human hepatic microsomes produced a ketene reactive intermediate trapped by 4-bromobenzylamine. CYP3A4 dominated the metabolic activation of ICT to the ketene intermediate. Et and vinyl analogs of ICT did not induce inactivation of recombinant human CYP3A4/5, which indicates that acetylenic bioactivation of ICT contributed to the enzyme inactivation. Moreover, the metabolic activation of ICT resulted in heme destruction. In conclusion, this study demonstrated that ICT was a mechanism-based inactivator of recombinant human CYP3A4/5, and heme destruction by the ketene metabolite may be responsible for the observed CYP3A inactivation.

Drug Metabolism & Disposition published new progress about Animal gene, CYP3A Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, Formula: C7H8BrN.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Wu, Pu Hua; Meng, Qing Qing; Zhou, Hu Chen published the artcile< Synthesis of a novel pyrrolo-benzoxaborole scaffold and its derivatization via Friedel-Crafts reaction catalyzed by anhydrous stannic chloride>, Recommanded Product: 2-Bromo-4-nitrobenzoic acid, the main research area is pyrrolobenzoxaborole preparation Friedel Crafts acylation acyl chloride stannic catalyst; acyl pyrrolobenzoxaborole preparation.

A novel pyrrolo-benzoxaborole, 6-(pyrrol-1-yl)-1,3-dihydro-1-hydroxy-2,1-benzoxaborole, was synthesized with 27% overall yield over six steps from 2-bromo-1-methyl-4-nitrobenzene as starting material. Its derivation was achieved via Friedel-Crafts reaction catalyzed by anhydrous stannic chloride with various acyl chlorides giving 3-acyl-1-phenylpyrroles as the main products.

Chinese Chemical Letters published new progress about Acid chlorides Role: RCT (Reactant), RACT (Reactant or Reagent). 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

Zhang, Kaiheng; Deiana, Luca; Grape, Erik Svensson; Inge, A. Ken; Cordova, Armando published the artcile< Catalytic Enantioselective Synthesis of Bicyclic Lactam N,S-Acetals in One Pot by Cascade Transformations>, SDS of cas: 3893-18-3, the main research area is bicyclic lactam acetal enantioselective preparation.

A versatile strategy for the enantioselective synthesis of bicyclic lactam N,S-acetals by one-pot cascade transformations is disclosed. The transformation of readily available substrates is promoted by chiral amines and creates bicyclic or tricyclic lactam N,S-acetals with high chemo- and stereoselectivity (up to > 99.5:0.5 dr and > 99 % ee) in one-pot operations.

European Journal of Organic Chemistry published new progress about Acetals, cyclic Role: PRP (Properties), SPN (Synthetic Preparation), PREP (Preparation). 3893-18-3 belongs to class bromides-buliding-blocks, and the molecular formula is C9H7BrO, SDS of cas: 3893-18-3.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Rupanawar, Bapurao D.; Veetil, Sruthi M.; Suryavanshi, Gurunath published the artcile< Oxidative Olefination of Benzylamine with an Active Methylene Compound Mediated by Hypervalent Iodine (III)>, HPLC of Formula: 3959-07-7, the main research area is oxidative olefination benzylamine active methylene compound; olefination mediated hypervalent iodine.

Hypervalent iodine-mediated oxidative olefination of amines with an active methylene compound provides a rapid gateway towards the formation of electrophilic alkenes under mild reaction conditions in good to excellent yields. This is an efficient protocol for the preparation of substituted electrophilic alkenes.

European Journal of Organic Chemistry published new progress about Alkenes Role: SPN (Synthetic Preparation), PREP (Preparation). 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, HPLC of Formula: 3959-07-7.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Guo, Cui; Huang, Kanglun; Wang, Bo; Xie, Longguang; Xu, Xiaohua published the artcile< Palladium-catalyzed annulation reactions of methyl o-halobenzoates with azabicyclic alkenes: a general protocol for the construction of benzo[c]phenanthridine derivatives>, COA of Formula: C8H6BrFO2, the main research area is benzophenanthridine preparation palladium catalysis annulation methyl halobenzoate azabicyclic alkene.

The annulation reaction of Me o-halobenzoates with azabicyclic alkenes proceeds efficiently to give the corresponding benzo[c]phenanthridine derivatives in good to excellent yields using a developed base-free methodol. based on our preliminary studies. Thirty-seven application examples validate the compatibility of the present strategy with different groups, particularly with the electron-deficient ones, that are difficult to access using other traditional methods. In addition, annulation reactions with non-sym. azabicyclic alkenes are achieved in high regioselectivity.

RSC Advances published new progress about Cyclization. 6942-39-8 belongs to class bromides-buliding-blocks, and the molecular formula is C8H6BrFO2, COA of Formula: C8H6BrFO2.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Tahir, Norini; Muniz-Miranda, Francesco; Everaert, Jonas; Tack, Pieter; Heugebaert, Thomas; Leus, Karen; Vincze, Laszlo; Stevens, Christian V.; Van Speybroeck, Veronique; Van Der Voort, Pascal published the artcile< Immobilization of Ir(I) complex on covalent triazine frameworks for C-H borylation reactions: A combined experimental and computational study>, Recommanded Product: 3-Bromobenzotrifluoride, the main research area is covalent triazine framework preparation carbon hydrogen borylation computational exptl.

Metal-modified covalent triazine frameworks (CTFs) have attracted considerable attention in heterogeneous catalysis due to their strong nitrogen-metal interactions exhibiting superior activity, stability and hence recyclability. Herein, authors report on a post-metalation of a bipyridine-based CTFs with an Ir(I) complex for C-H borylation of aromatic compounds Phys. characterization of the Ir(I)-based bipyCTF catalyst in combination with d. functional theory (DFT) calculations exhibit a high stabilization energy of the Ir-bipy moiety in the frameworks in the presence of B2Pin2. By using B2Pin2 as a boron source, Ir(I)@bipyCTF efficiently catalyzed the C-H borylation of various aromatic compounds with excellent activity and good recyclability. In addition, XAS anal. of the Ir(I)@bipyCTF gave clear evidence for the coordination environment of the Ir.

Journal of Catalysis published new progress about Borylation. 401-78-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H4BrF3, Recommanded Product: 3-Bromobenzotrifluoride.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Fernandez, Ariadna; Diaz, Jose Luis; Garcia, Monica; Rodriguez-Escrich, Sergi; Lorente, Adriana; Enrech, Raquel; Dordal, Albert; Portillo-Salido, Enrique; Porras, Monica; Fernandez, Begona; Reinoso, Raquel F.; Vela, Jose Miguel; Almansa, Carmen published the artcile< Piperazinyl Bicyclic Derivatives as Selective Ligands of the α2δ-1 Subunit of Voltage-Gated Calcium Channels>, Application of C7H6BrNO2, the main research area is piperazinyl quinazolinone preparation calcium channel.

The synthesis and pharmacol. activities of a new series of piperazinyl quinazolin-4-(3H)-one derivatives I [R1 = H, 5-Br, 6-(4-pyridinyl), 8-Br, etc.; R2 = 2-methoxyethyl, benzyl, 2-furylmethyl, etc.; R3 = H, Me, Pr, n-Bu, etc.; R4 = piperazin-1-yl, (3R,5S)-3,5-dimethylpiperazin-1-yl, (S)-3-methylpiperazin-1-yl, etc.] acting toward the α2δ-1 subunit of voltage-gated calcium channels (Cavα2δ-1) were reported. Different positions of a micromolar HTS hit were explored, and best activities were obtained for compounds I containing a small alkyl group in position 3 of the quinazolin-4-(3H)-one scaffold and a 3-methyl-piperazin-1-yl- or 3,5-dimethyl-piperazin-1-yl-Bu group in position 2. The activity was shown to reside in the R enantiomer of the chain in position 2, and several eutomers reached single digit nanomolar affinities. Final modification of the central scaffold to reduce lipophilicity provided the pyrido[4,3-d]pyrimidin-4(3H)-one II, which showed high selectivity for Cavα2δ-1 vs. Cavα2δ-2, probably linked to its improved analgesic efficacy-safety ratio in mice over pregabalin.

ACS Medicinal Chemistry Letters published new progress about Acid chlorides Role: RCT (Reactant), RACT (Reactant or Reagent). 20776-50-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H6BrNO2, Application of C7H6BrNO2.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Buckle, Derek R.; Morgan, Neil J.; Ross, Janet W.; Smith, Harry; Spicer, Barbara A. published the artcile< Antiallergic activity of 2-nitroindan-1,3-diones>, Application In Synthesis of 82-73-5, the main research area is nitro indandione antiallergic.

Of 26 2-nitroindan-1,3-diones prepared, 2-nitroindan-1,3-dione (I) [3674-33-7] showed an activity close to that of disodium cromoglycate [15826-37-6] while 5,6-dimethyl-2-nitroindan-1,3-dione (II) [49561-92-4] and 2-nitrobenz[f]indan-1,3-dione (III) [49561-93-5] showed a marked increase in antiallergic activity as measured by the homocytotropic antibody-antigen induced passive cutaneous anaphylaxis reaction in the rat. The prepn of the 1,3-indandione nucleus was achieved by 3 routes, all procedures necessitating the appropriately substituted phthalate precursors which were obtained through a variety of synthetic methods.

Journal of Medicinal Chemistry published new progress about Antihistamines. 82-73-5 belongs to class bromides-buliding-blocks, and the molecular formula is C8H3BrO3, Application In Synthesis of 82-73-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary