Month: October 2022

Berhane, Ilyas A.; Burde, Ameya S.; Kennedy-Ellis, Jonathan J.; Zurek, Eva; Chemler, Sherry R. published the artcile< Copper-catalyzed enantioselective alkene carboetherification for the synthesis of saturated six-membered cyclic ethers>, Synthetic Route of 17100-65-1, the main research area is six membered cyclic ether preparation enantioselective; alkene carboetherification copper catalyzed.

The enantioselective copper-catalyzed oxidative coupling of alkenols with styrenes for the construction of dihydropyrans, isochromans, pyrans and morpholines, e.g., I was reported. A concise formal synthesis of a σ1 receptor ligand using this alkene carboetherification methodol. was demonstrated. Ligand, solvent and base all impact reaction efficiency. DFT transition state calculations were presented.

Chemical Communications (Cambridge, United Kingdom) published new progress about Alkenes Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 17100-65-1 belongs to class bromides-buliding-blocks, and the molecular formula is C9H9BrO3, Synthetic Route of 17100-65-1.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Pearce-Higgins, Robert; Hogenhout, Larissa N.; Docherty, Philip J.; Whalley, David M.; Chuentragool, Padon; Lee, Najung; Lam, Nelson Y. S.; McGuire, Thomas M.; Valette, Damien; Phipps, Robert J. published the artcile< An Enantioselective Suzuki-Miyaura Coupling To Form Axially Chiral Biphenols>, COA of Formula: C7H7BrO2, the main research area is arylbromide phenylboronate ester palladium sSPhos catalyst Suzuki Miyaura coupling; arylphenol enantioselective preparation.

The use of enantiopure, sulfonated SPhos (sSPhos), an existing ligand that has until now been used only in racemic form and that derived its chirality from an atropisomeric axis that was introduced through sulfonation. The attractive noncovalent interactions involving the ligand sulfonate group was responsible for the high levels of asym. induction that we obtain in the 2,2′-biphenol products of Suzuki-Miyaura coupling, and a highly practical resolution of sSPhos via diastereomeric salt recrystallization was developed.

Journal of the American Chemical Society published new progress about Aryl bromides Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 135999-16-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H7BrO2, COA of Formula: C7H7BrO2.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Fan, Xiao-Nan; Ou, Hui-Dan; Deng, Wei; Yao, Zi-Jian published the artcile< Air-Stable Half-Sandwich Iridium Complexes as Aerobic Oxidation Catalysts for Imine Synthesis>, Product Details of C7H8BrN, the main research area is iridium half sandwich iminoketone complex preparation oxidation catalyst; imine preparation aerobic oxidation amine iridium iminoketone catalyst; benzyl alc amine coupling preparation benzylideneaniline iridium iminoketone catalyst; crystal structure iridium half sandwich iminoketone complex; mol structure iridium half sandwich iminoketone complex.

Several N,O-coordinate half-sandwich iridium complexes I (1-5, R = H, 4-MeO, 4-Cl, 2-Me, 3-Br) containing constrained bulky β-enaminoketonato ligands were prepared and clearly characterized. Single-crystal X-ray diffraction characterization of these complexes indicates that the iridium center adopts a distorted octahedral geometry. Complexes 1-5 showed good catalytic efficiency in the oxidative homocoupling of primary amines, dehydrogenation of secondary amines, and the oxidative cross-coupling of amines and alcs., which furnished various types of imines in good yields and high selectivities using O2 as an oxidant under mild conditions. No distinctive substituent effects of the iridium catalysts were observed in these reactions. The diverse catalytic activity, broad substrate scope, mild reaction conditions, and high yields of the products made this catalytic system attractive in industrial processes. Half-sandwich iridium complexes were synthesized which exhibited high catalytic activity for oxidative homocoupling of primary amines, dehydrogenation of secondary amines, and oxidative cross-coupling of alcs. and amines under mild conditions using clean O2 as the oxidative reagent. The broad substrate scope, mild reaction conditions, and high yields of the products made this catalytic system attractive in industrial processes.

Inorganic Chemistry published new progress about Alcohols Role: RCT (Reactant), RACT (Reactant or Reagent). 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, Product Details of C7H8BrN.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Dong, Guangping; Iyamu, Iredia D.; Vilseck, Jonah Z.; Chen, Dongxing; Huang, Rong published the artcile< Improved Cell-Potent and Selective Peptidomimetic Inhibitors of Protein N-Terminal Methyltransferase 1>, Category: bromides-buliding-blocks, the main research area is peptidomimetic inhibitor preparation antitumor mol docking protein terminal methyltransferase; cell-permeable inhibitor; peptidomimetic inhibitor; protein N-terminal methyltransferase; structure-based drug design.

A series of new peptidomimetic inhibitors I (R = 3-bromophenyl, cyclohexylmethyl, 2-(4-phenylphenyl)ethyl, etc.) was designed and synthesized. Through a focused optimization of DC113, a new cell-potent peptidomimetic inhibitor GD562 (IC50 = 0.93 ± 0.04μM) is discovered. GD562 exhibited improved inhibition of the cellular N-terminal methylation levels of both the regulator of chromosome condensation 1 and the oncoprotein SET with an IC50 value of ∼50μM in human colorectal cancer HCT116 cells. Notably, the inhibitory activity of GD562 for the SET protein increased over 6-fold compared with the previously reported cell-potent inhibitor DC541. Furthermore, GD562 also exhibited over 100-fold selectivity for NTMT1 against several other methyltransferases. Thus, this study provided a valuable probe to investigate the biol. functions of NTMT1.

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

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Wang, Shan; Zhang, Rong-Hong; Zhang, Hong; Wang, Yu-Chan; Yang, Dan; Zhao, Yong-Long; Yan, Guo-Yi; Xu, Guo-Bo; Guan, Huan-Yu; Zhou, Yan-Hua; Cui, Dong-Bing; Liu, Ting; Li, Yong-Jun; Liao, Shang-Gao; Zhou, Meng published the artcile< Design, synthesis, and biological evaluation of 2,4-diamino pyrimidine derivatives as potent FAK inhibitors with anti-cancer and anti-angiogenesis activities>, Formula: C7H8BrN, the main research area is diamino pyrimidine preparation SAR antitumor antiangiogenesis FAK inhibitor human; Anti-angiogenesis; Antitumor; DAPY; FAK inhibitor; Structure-activity relationship.

A series of 2,4-diamino pyrimidine (DAPY) derivatives I (R1 = 2-ClC6H4, 4-MeOC6H4, 4-BrC6H4, etc.), II (R2 = 4-H2NC6H4, 4-MeOC6H4, 2-O2NC6H4, etc.) were designed, synthesized, and evaluated as inhibitors of focal adhesion kinase (FAK) with antitumor and anti-angiogenesis activities. Most compounds effectively suppressed the enzymic activities of FAK, and the IC50s of I (R1 = 2-ClC6H4) and II (R2 = 2-MeOC6H4) were 2.75 and 1.87 nM, resp. They exhibited strong antiproliferative effects against seven human cancer cells, with IC50 values against two FAK-overexpressing pancreatic cancer cells (PANC-1 and BxPC-3) of 0.98μM, 0.55μM, and 0.11μM, 0.15μM, resp. Moreover, the above two compounds obviously suppressed the colony formation, migration, and invasion of PANC-1 cells in a dose-dependent manner. Meanwhile, these two compounds could induce the apoptosis of PANC-1 cells and arrest the cell cycle in G2/M phase according to the flow cytometry assay. Western blot revealed that these compounds effectively inhibited the FAK/PI3K/Akt signal pathway and significantly decreased the expression of cyclin D1 and Bcl-2. In addition, the above compounds potently inhibited the antiproliferative of HUVECs and obviously altered the cell morphol and also significantly inhibited the migration, tube formation of HUVECs and severely impaired the angiogenesis in the zebrafish model. Overall, these results revealed the potential of these compounds as promising candidates for further preclin. studies.

European Journal of Medicinal Chemistry published new progress about Angiogenesis. 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, Formula: C7H8BrN.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Venugopal, Thanikachalam; Palanivel, Jeeva; Jayaraman, Jayabharathi published the artcile< Nondoped blue fluorescent OLED based on cyanophenanthrimidazole-styryl-triphenylamine/carbazole materials>, SDS of cas: 3893-18-3, the main research area is cyano phenanthrimidazole styryl phenylamine carbazole fluorescent blue organic LED.

New 2-(4′-(9H-carbazole-9-yl)-styryl-1H-phenathro[9,10-d]imidazole-1-yl)benzonitrile (SPICN-Cz) and 4-(2-(4-(diphenylamino)phenyl-styryl)-1H-phenathro[9,10-d]imidazole-1-yl)benzonitrile (SPICN-TPA) were synthesized, and their photophys., electrochem., and electroluminescent properties were analyzed in comparison with their cyano-free parent compounds, SPI-Cz, and SPI-TPA. Solvatochromic effects show the transformation of an excited state character from locally excited (LE) state to charge transfer (CT) state. Using time-dependent d. functional theory calculation, the excited state properties of these donor-acceptor blue emissive materials were analyzed. Their excited state properties were tuned by replacing the strong donor triphenylamine to weak donor carbazole to achieve the combination of high photoluminance efficiency locally excited (LE) component and high exciton-using CT component in 1 excited state. Hybridization processes between LE and CT components of SPICN-Cz and SPICN-TPA in the emissive state were discussed. The nondoped organic light emitting diode device based on SPICN-Cz exhibit better electroluminescent performances than those of SPICN-TPA-based device: high external quantum efficiency of 2.58 %, current efficiency of 2.90 cd A-1, and power efficiency of 2.26 lm W-1 with Commission Internationale de l’Eclairage (CIE) coordinates of (0.15, 0.12). The excited state modulation and the composition of LE and CT states in the donor-acceptor system could be useful to design low-cost, high-efficiency fluorescent organic light emitting diode materials.

Journal of Physical Organic Chemistry published new progress about Blue-emitting electroluminescent devices. 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

Moir, Michael; Lane, Samuel; Montgomery, Andrew P.; Hibbs, David; Connor, Mark; Kassiou, Michael published the artcile< The discovery of a potent and selective pyrazolo-[2,3-e]-[1,2,4]-triazine cannabinoid type 2 receptor agonist>, Related Products of 81107-97-3, the main research area is cannabinoid type 2 receptor structure activity relationship; CB(2)R selective; Cannabinoid; Docking; Pyrazolotriazine; Structure-activity relationship study; Synthesis.

The development of selective CB2 receptor agonists is a promising therapeutic approach for the treatment of inflammatory diseases, without CB1 receptor mediated psychoactive side effects. Preliminary structure-activity relationship studies on pyrazoylidene benzamide agonists revealed the -ylidene benzamide moiety was crucial for functional activity at the CB2 receptor. A small library of compounds with varying linkage moieties between the pyrazole and substituted Ph group has culminated in the discovery of a potent and selective pyrazolo-[2,3-e]-[1,2,4]-triazine agonist 19 (CB2R EC50 = 19 nM, CB1R EC50 > 10μM). Docking studies have revealed key structural features of the linkage group that are important for potent functional activity.

European Journal of Medicinal Chemistry published new progress about Cannabinoid receptor 1 Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 81107-97-3 belongs to class bromides-buliding-blocks, and the molecular formula is C7H4BrF3O, Related Products of 81107-97-3.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Wang, Jianchun; Li, Renhe; Dong, Zhe; Liu, Peng; Dong, Guangbin published the artcile< Complementary site-selectivity in arene functionalization enabled by overcoming the ortho constraint in palladium/norbornene catalysis>, SDS of cas: 17100-65-1, the main research area is haloarene amine alkene palladium norbornene regioselective aromatic substitution catalyst; alkenyl amino arene preparation.

Achieving site-selectivity in arene functionalization that is complementary to the site-selectivity from electrophilic aromatic substitution reactions has been a long-standing quest in organic synthesis. Palladium/norbornene cooperative catalysis potentially offers a unique approach to this problem, but its use has been hampered by the ortho constraint, which is the requirement of an ortho substituent for mono ortho functionalization of haloarenes. Here, we show that such a challenge could be addressed using a new class of bridgehead-modified norbornenes, thereby enabling a broadly useful strategy for arene functionalization with complementary site-selectivity. A range of ortho-unsubstituted aryl iodides, previously problematic substrates, can now be employed to provide mono ortho-functionalized products effectively. This method is applicable for late-stage functionalization of complex bioactive mols. at positions that are difficult to reach by conventional approaches.

Nature Chemistry published new progress about Amines Role: RCT (Reactant), RACT (Reactant or Reagent). 17100-65-1 belongs to class bromides-buliding-blocks, and the molecular formula is C9H9BrO3, SDS of cas: 17100-65-1.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Hu, Deqing; Jiang, Xuefeng published the artcile< Stepwise benzylic oxygenation via uranyl-photocatalysis>, Recommanded Product: 1-Bromo-3-ethylbenzene, the main research area is carboxylic acid ketone alc preparation photochem; benzylic mol stepwise oxygenation uranyl catalyst.

Stepwise oxygenation at the benzylic position (1°, 2°, 3°) of aromatic mols. was comprehensively established under ambient conditions via uranyl photocatalysis to produce carboxylic acids, ketones, and alcs., resp. The accuracy of the stepwise oxygenation was ensured by the tunability of catalytic activity in uranyl photocatalysis, which was adjusted by solvents and additives demonstrated through Stern-Volmer anal. Hydrogen atom transfer between the benzylic position and the uranyl catalyst facilitated oxygenation, further confirmed by kinetic studies. Considerably improved efficiency of flow operation demonstrated the potential for industrial synthetic application.

Green Chemistry published new progress about Alcohols Role: SPN (Synthetic Preparation), PREP (Preparation). 2725-82-8 belongs to class bromides-buliding-blocks, and the molecular formula is C8H9Br, Recommanded Product: 1-Bromo-3-ethylbenzene.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Fahandej-Sadi, Anis; Lundgren, Rylan J. published the artcile< Copper-Mediated Synthesis of Monofluoro Aryl Acetates via Decarboxylative Cross-Coupling>, Computed Properties of 14062-30-7, the main research area is fluoro oxopropanoic acid aryl boronate preparation copper decarboxylative arylation; aryl fluoroacetate preparation.

Cu-promoted oxidative cross-coupling of α-fluoromalonate half-esters and aryl boron reagents to deliver monofluoro α-aryl acetates under mild conditions (in air at room temperature) was reported. The reaction used a simple, readily available mono-fluorinated building block to generate arylated compounds with functional groups that were not easily tolerated by existing methods, such as aryl bromides, iodides, pyridines, and pyrimidines.

Synlett published new progress about Acetates Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 14062-30-7 belongs to class bromides-buliding-blocks, and the molecular formula is C10H11BrO2, Computed Properties of 14062-30-7.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary