Month: October 2022

Chen, Qiaoyu; Li, Sanliang; Xie, Xiaoxiao; Guo, Hao; Yang, Junfeng; Zhang, Junliang published the artcile< Pd-Catalyzed Enantioselective Dicarbofunctionalization of Alkene to Access Disubstituted Dihydroisoquinolinone>, Name: 2-(2-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, the main research area is asym Heck Suzuki domino alkene hydroisoquinolinone synthesis.

A Pd/Xu-Phos-catalyzed asym. Heck/Suzuki domino reaction has been developed that shows high functional group tolerance and enables coupling with various aryl/alkenyl borates. A series of chiral disubstituted dihydroisoquinolinones could be obtained in good yields and excellent enantioselectivities.

Organic Letters published new progress about Benzamides Role: RCT (Reactant), RACT (Reactant or Reagent). 190788-60-4 belongs to class ethers-buliding-blocks, and the molecular formula is C13H19BO3, Name: 2-(2-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Chang, Che-Chien; Cao, Song; Kang, Soosung; Kai, Li; Tian, Xinyong; Pandey, Prativa; Dunne, Sara Fernandez; Luan, Chi-Hao; Surmeier, D. James; Silverman, Richard B. published the artcile< Antagonism of 4-substituted 1,4-dihydropyridine-3,5-dicarboxylates toward voltage-dependent L-type Ca2+ channels CaV1.3 and CaV1.2>, Category: ethers-buliding-blocks, the main research area is dihydropyridine dicarboxylate derivative structure calcium channel blocker neuroprotective.

L-type Ca2+ channels in mammalian brain neurons have either a CaV1.2 or CaV1.3 pore-forming subunit. Recently, it was shown that CaV1.3 Ca2+ channels underlie autonomous pacemaking in adult dopaminergic neurons in the substantia nigra pars compacta, and this reliance renders them sensitive to toxins used to create animal models of Parkinson’s disease. Antagonism of these channels with the dihydropyridine antihypertensive drug isradipine diminishes the reliance on Ca2+ and the sensitivity of these neurons to toxins, pointing to a potential neuroprotective strategy. However, for neuroprotection without an antihypertensive side effect, selective CaV1.3 channel antagonists are required. In an attempt to identify potent and selective antagonists of CaV1.3 channels, 124 dihydropyridines (4-substituted-1,4-dihydropyridine-3,5-dicarboxylic diesters) were synthesized. The antagonism of heterologously expressed CaV1.2 and CaV1.3 channels was then tested using electrophysiol. approaches and the FLIPR Calcium 4 assay. Despite the large diversity in substitution on the dihydropyridine scaffold, the most CaV1.3 selectivity was only about twofold. These results support a highly similar dihydropyridine binding site at both CaV1.2 and CaV1.3 channels and suggests that other classes of compounds need to be identified for CaV1.3 selectivity.

Bioorganic & Medicinal Chemistry published new progress about L-type calcium channel blockers. 52244-70-9 belongs to class ethers-buliding-blocks, and the molecular formula is C11H16O2, Category: ethers-buliding-blocks.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Wang, Junhua; Pettus, Liping H.; Pettus, Thomas R. R. published the artcile< Cycloadditions of o-quinone dimethides with p-quinol derivatives: regiocontrolled formation of anthracyclic ring systems>, Recommanded Product: 3-Methoxy-2-methylbenzaldehyde, the main research area is regioselective cycloaddition anthracyclic ring system rishirilide B preparation.

Regioselective cycloadditions between the cyclohexadienones and an ortho-quinone dimethide, which is thermally generated from the corresponding 1,3-dihydro-1-methoxy-2,2-dioxide benzo[c]thiophene, are reported. The synthetic sequence provides rapid access to highly substituted anthracyclic system and may be of use for construction of the natural product (+)-rishirilide B.

Tetrahedron Letters published new progress about Cycloaddition reaction, regioselective. 56724-03-9 belongs to class ethers-buliding-blocks, and the molecular formula is C9H10O2, Recommanded Product: 3-Methoxy-2-methylbenzaldehyde.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Man, Hon-Wah; Schafer, Peter; Wong, Lu Min; Patterson, Rebecca T.; Corral, Laura G.; Raymon, Heather; Blease, Kate; Leisten, Jim; Shirley, Michael A.; Tang, Yang; Babusis, Darius M.; Chen, Roger; Stirling, Dave; Muller, George W. published the artcile< Discovery of (S)-N-{2-[1-(3-Ethoxy-4-methoxyphenyl)-2-methanesulfonylethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}acetamide (Apremilast), a Potent and Orally Active Phosphodiesterase 4 and Tumor Necrosis Factor-α Inhibitor>, HPLC of Formula: 608141-42-0, the main research area is apremilast acetylamino analog preparation PDE4 TNF inhibitor structure antiinflammatory.

In this communication, we report the discovery of 1S (apremilast), a novel potent and orally active phosphodiesterase 4 (PDE4) and tumor necrosis factor-α inhibitor. The optimization of previously reported 3-(1,3-dioxo-1,3-dihydroisoindol-2-yl)-3-(3,4-dimethoxyphenyl)propionic acid PDE4 inhibitors led to this series of sulfone analogs. Evaluation of the structure-activity relationship of substitutions on the phthalimide group led to the discovery of an acetylamino analog 1S, which is currently in clin. trials.

Journal of Medicinal Chemistry published new progress about Anti-inflammatory agents. 608141-42-0 belongs to class ethers-buliding-blocks, and the molecular formula is C12H19NO4S, HPLC of Formula: 608141-42-0.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Hofmann, Andreas; Rauber, Daniel; Wang, Tzu-Ming; Hempelmann, Rolf; Kay, Christopher W. M.; Hanemann, Thomas published the artcile< Novel Phosphonium-Based Ionic Liquid Electrolytes for Battery Applications>, Computed Properties of 6482-24-2, the main research area is phosphonium ionic liquid electrolyte battery application structure activity relationship; batteries; electrochemistry; ionic liquid; phosphonium.

In this study, we address the fundamental question of the physicochem. and electrochem. properties of phosphonium-based ionic liquids containing the counter-ions bis(trifluoromethanesulfonyl)imide ([TFSI]-) and bis(fluorosulfonyl)imide ([FSI]-). To clarify these structure-property as well as structure-activity relationships, trimethyl-based alkyl- and ether-containing phosphonium ILs were systematically synthesized, and their properties, namely d., flow characteristics, alkali metal compatibility, oxidative stability, aluminum corrosivity as well as their use in Li-ion cells were examined comprehensively. The variable moiety on the phosphonium cation exhibited a chain length of four and five, resp. The properties were discussed as a function of the side chain, counter-ion and salt addition ([Li][TFSI] or [Li][FSI]). High stability coupled with good flow characteristics were found for the phosphonium IL [P1114][TFSI] and the mixture [P1114][TFSI] + [Li][TFSI], resp.

Molecules published new progress about Activation energy. 6482-24-2 belongs to class ethers-buliding-blocks, and the molecular formula is C3H7BrO, Computed Properties of 6482-24-2.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Gonzalez-Lainez, Miguel; Jimenez, M. Victoria; Azpiroz, Ramon; Passarelli, Vincenzo; Modrego, F. Javier; Perez-Torrente, Jesus J. published the artcile< N-Methylation of Amines with Methanol Catalyzed by Iridium(I) Complexes Bearing an N,O-Functionalized NHC Ligand>, Safety of 2-Methoxy-N-methylaniline, the main research area is iridium complex imidazolylidenelutidine polydentate ligand preparation catalyst methylation aniline; crystal structure iridium complex containing imidazolylidenelutidine polydentate ligand; mol structure iridium complex containing imidazolylidenelutidine polydentate ligand.

A set of neutral [IrBr(L2)(κC-tBuImCH2PyCH2OMe)] and cationic [Ir(L2)(κ2C,N-tBuImCH2PyCH2OMe)]PF6 (L2 = cod, (CO)2) Ir(I) compounds featuring a flexible lutidine-derived polydentate ligand having NHC and -OMe as donor functions were evaluated as catalyst precursors for the N-methylation of aniline using MeOH both as a reducing agent and a C1 source. The carbonyl complexes are somewhat more active than the related diene compounds with the neutral compound [IrBr(CO)2(κC-tBuImCH2PyCH2OMe)] being the more active. A range of aromatic primary amines, including heterocyclic amines, were selectively transformed into the corresponding N-methylamino derivatives using this catalyst at a low catalyst loading (0.1 mol %) and substoichiometric amounts of Cs2CO3 (half equiv) as a base, in MeOH at 423 K. For aliphatic primary amines, selective N,N-dimethylation was achieved under the same catalytic conditions. The unselective deprotonation of the methylene linkers in [IrBr(CO)2(κC-tBuImCH2PyCH2OMe)] affords two isomeric neutral complexes featuring a coordinated dearomatized pyridine core, which were converted into [Ir(OMe)(CO)2(κC-tBuImCH2PyCH2OMe)] upon addition of MeOH. This compound undergoes thermal activation of a C-H bond of the tert-Bu group to give the cyclometalated Ir(I) complex [Ir(CO)2{κ2C,C-(-CH2Me2C-ImCH2PyCH2OMe)}] featuring a bidentate C,C-coordinated NHC ligand. Mechanistic studies support a borrowing H mechanism proceeding through Ir(I) intermediates with the methoxo complex as the catalytic active species and the cyclometalated complex as the catalyst resting state. D labeling experiments demonstrated that both species are in equilibrium under catalytic conditions, which is consistent with the exhibited catalytic activity of the cyclometalated complex.

Organometallics published new progress about Amines Role: RCT (Reactant), RACT (Reactant or Reagent). 10541-78-3 belongs to class ethers-buliding-blocks, and the molecular formula is C8H11NO, Safety of 2-Methoxy-N-methylaniline.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Tamiz, Amir P.; Whittemore, Edward R.; Woodward, Richard M.; Upasani, Ravindra B.; Keana, John F. W. published the artcile< Structure-activity relationship for a series of 2-substituted 1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indoles: potent subtype-selective inhibitors of N-methyl-D-aspartate (NMDA) receptors>, Application In Synthesis of 52244-70-9, the main research area is neuroprotectant SAR tetrahydropyridoindole derivative NMDA receptor; structure tetrahydropyridoindole derivative NR1A2B NMDA receptor; neurodegenerative disorder tetrahydropyridoindole derivative neuroprotective SAR.

A series of 2-substituted 1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indoles was synthesized as potential antagonists for the NR1A/2B subtype of N-methyl-D-aspartate (NMDA) receptors. Assayed by elec. recording under steady-state conditions, 7-hydroxy-2-(4-phenylbutyl)-1,2,3,4-tetrahydropyrido-[3,4-b]indole (30) was the most potent compound in the series having an IC50 value of 50 nM at the NR1A/2B receptors.

Bioorganic & Medicinal Chemistry Letters published new progress about Crystal structure. 52244-70-9 belongs to class ethers-buliding-blocks, and the molecular formula is C11H16O2, Application In Synthesis of 52244-70-9.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Li, Shuguang; Wang, Yunxiang; Zhang, Jing; Zhao, Xiansi; Xu, Shihong published the artcile< Chemical components of edible oil fume in kitchen and its genotoxicity on Drosophila>, SDS of cas: 52244-70-9, the main research area is edible oil fume genotoxicity Drosophila.

The chem. components of the condensate of edible oil fume in kitchen and its genotoxicity on Drosophila were studied. The chem. components were analyzed by gas chromatog. and mass spectra (GC/MS) and the genotoxicity was studied by sex linked recessive lethal (SLRL) test in Drosophila. A total of 74 organic compounds were found in samples of condensed oil from the fume in kitchen. It included hydroxy acids, hydrocarbons, alcs., esters, aldehydes, ketones, aromatic compounds, and steroids, etc. The total mutagenicity rates in SLRL test induced by the samples at concentrations of 110, 320 and 960 mg/L were 0.1732%, 0.4306% and 0.1707% resp. The sterility rates of the first broods were 2.564%, 2.056% and 2.845% at above 3 concentrations resp. (P <0.05, as compared with the control). The mutagenicity rate of the second brood at 320 mg/L was 0.530% and of condensate of the third brood at 110 mg/L was 0.540% (P <0.001). Some of the compounds in the condensate of edible oil fume had high recessive lethal effect and genotoxic effect on the reproductive system of Drosophila. Weisheng Yanjiu published new progress about Alcohols Role: ADV (Adverse Effect, Including Toxicity), BSU (Biological Study, Unclassified), BIOL (Biological Study). 52244-70-9 belongs to class ethers-buliding-blocks, and the molecular formula is C11H16O2, SDS of cas: 52244-70-9.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Li, Zhengyi; Li, Hu; Yang, Song published the artcile< Carboxylate-Functionalized Zeolitic Imidazolate Framework Enables Catalytic N-Formylation Using Ambient CO2>, Computed Properties of 10541-78-3, the main research area is carboxylate functionalized zeolitic imidazolate framework preparation recyclability; amine carbon dioxide ZIF catalyst formylation; amide preparation.

In this work, carboxylate-functionalized zeolitic imidazolate framework (F-ZIF-90) with good crystallinity and porosity was constructed from ZIF-90 and employed as a robust heterogeneous catalyst to boost the reductive N-functionalization of various amines with CO2 to furnish N-formyl compounds (up to 99% yield) in the presence of PhSiH3 under an ambient environment. The imidazole carboxylate species (COO-) can not only activate hydrosilane and CO2 to form the key intermediate formoxysilane but also activate amines to participate in the N-formylation reaction to obtain the target product. Moreover, it can enhance the catalyst capture and exchange ability toward ambient CO2. The powerful adsorption capacity of the F-ZIF-90 catalyst toward CO2 was conducive to elevating CO2 concentration around the active species. Theor. calculations showed that the carboxylate-mediated conversion path undergoes the transition state of hydrosilane activation with a relatively lower energy barrier (ΔG = 26.9 kcal mol-1). F-ZIF-90 exhibited good thermochem. stability with no obvious activity attenuation after repeated use 5 times. This strategy opens a new avenue based on ZIFs to develop heterogeneous catalysts for reductive upgrading of CO2.

Advanced Sustainable Systems published new progress about Amides Role: SPN (Synthetic Preparation), PREP (Preparation). 10541-78-3 belongs to class ethers-buliding-blocks, and the molecular formula is C8H11NO, Computed Properties of 10541-78-3.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Wang, Bofei; Zhong, Fangrui published the artcile< Practical and Asymmetric Synthesis of Apremilast Using Ellman's Sulfinamide as a Chiral Auxiliary>, Recommanded Product: (S)-1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethanamine, the main research area is apremilast preparation enantioselective imidation.

A new protocol for the asym. synthesis of apremilast using tert-butanesulfinamide as a chiral auxiliary was described. This synthetic route consisted of four steps starting from the com. available 3-hydroxy-4-methoxybenzaldehyde and apremilast was accordingly obtained in an overall 56% yield and with 95.5% ee.

Molbank published new progress about Enantioselective synthesis. 608141-42-0 belongs to class ethers-buliding-blocks, and the molecular formula is C12H19NO4S, Recommanded Product: (S)-1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethanamine.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem