Tag: M.W=150-200

Bukuroshi, Esmeralda; Wong, Siena; Mudigonda, Thanmayee; Nova, Kyle; Dumont, Antoine; Holst, Devon; Lu, Zheng-Hong; Bender, Timothy P. published the artcile< Molecular engineering of α and β peripherally tri-halogenated substituted boron subphthalocyanines as mixed alloys to control physical and electrochemical properties for organic photovoltaic applications>, Application of C8H3ClO3, the main research area is trihalogenated substituted boron subphthalocyanine alloy organic photovoltaic electrochem property.

The chirality feature of C1 and C3 boron subphthalocyanines (BsubPcs) is an attractive property in material science and supramol. chem. Normally in the field, enantiomeric mixtures are separated through a standard process. The goal of this study was to determine if the mixture of BsubPc enantiomers could form a mixed alloyed composition in the solid state, which is very relevant to their potential application in the organic electronic field. We present the synthesis and phys. characteristics of a selection of four chiral BsubPc mixtures These BsubPcs are specifically trichlorinated and trifluorinated in the periphery, such as Cl-βF3BsubPc, Cl-αF3BsubPc, Cl-βCl3BsubPc and Cl-αCl3BsubPc. The isomeric (C1/C3) ratios of each BsubPc were determined by NMR. Single-crystal XRD of all four BsubPc mixtures showed that the C1 and C3 isomers co-crystallized within their resp. lattices forming solid-state mixed alloyed compositions The structures of Cl-αF3BsubPc and Cl-βF3BsubPc crystallized in the same lattice as Cl-BsubPc, with some expansion of the unit cell volume, while the trichlorinated BsubPcs did not due to the large van der Waals radii of the chlorine atoms. This set of mixed alloyed BsubPcs was also integrated into organic solar cells/photovoltaics (OSCs/OPVs) as both non-fullerene electron acceptors and as electron donors. It was confirmed that these BsubPc isomers/enantiomers are applicable in OPVs as mixed alloyed compositions, with more promising functionality as non-fullerene electron acceptors given their significant contribution to the EQE spectra. Further mol. engineering of these materials will be made to enhance their OPV performance and to explore their bifunctional charge carrier mobility roles.

Molecular Systems Design & Engineering published new progress about Alloys Role: PEP (Physical, Engineering or Chemical Process), PRP (Properties), SPN (Synthetic Preparation), PROC (Process), PREP (Preparation). 118-45-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H3ClO3, Application of C8H3ClO3.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Yu, Wei; Zhai, Zhi-Wen; Wedge, David E.; Duke, Stephen O.; Wu, Hong-Ke; Weng, Jian-Quan; Tan, Cheng-Xia; Zhang, Yong-Gang; Liu, Xing-Hai published the artcile< Synthesis and biological activity of novel 1,3,4-oxadiazole derivatives containing a pyrazole moiety>, Name: 1-Chloro-2-(chloromethyl)benzene, the main research area is oxadiazole pyrazolyl preparation microwave irradiation antifungal herbicidal activity.

Several new 1,3,4-oxadiazole derivatives containing a pyrazole ring I (R = cyano, 3,4-dichlorophenyl, 2-chlorothiazol-5-yl, etc.) were designed and synthesized from Et acetoacetate and tri-Et orthoformate as starting materials via multi-step reactions. They were evaluated for fungicidal and herbicidal activities. Four of the compounds exhibited moderate fungicidal activity against Colletotrichum species. Most of the compounds had moderate-to-good activity as a herbicide.

Research on Chemical Intermediates published new progress about Agrochemical fungicides. 611-19-8 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H6Cl2, Name: 1-Chloro-2-(chloromethyl)benzene.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Echemendia, Radell; de Oliveira, Kleber T.; Burtoloso, Antonio C. B. published the artcile< Visible-Light-Promoted Synthesis of 1,3-Dicarbonyl Sulfoxonium Ylides>, Recommanded Product: (E)-Cinnamoyl chloride, the main research area is dicarbonyl sulfoxonium ylide green preparation; diazoketone sulfoxonium ylide coupling visible light promoted.

A novel visible-light-promoted synthesis of 1,3-dicarbonyl sulfoxonium ylides I [R = Ph, 2-ClC6H4, 4-MeC6H4, etc.; R1 = Ph, 4-MeOC6H4, 4-O2NC6H4, etc.; R2 = H, Me] via coupling of diazoketones with sulfoxonium ylides was described in both batch and continuous flow conditions. This transformation permitted the direct synthesis of synthetically useful 1,3-dicarbonyl sulfoxonium ylides I (33 examples, 21-85% yields), by means of an acylation reaction from the in situ and selective generation of ketenes. The reaction performed under flow conditions proved to be very efficient, providing the 1,3-dicarbonyl sulfoxonium ylides with higher yields and shorter reaction times.

Organic Letters published new progress about 1,3-Dicarbonyl compounds Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation) (sulfoxonium ylides). 17082-09-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C9H7ClO, Recommanded Product: (E)-Cinnamoyl chloride.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Lidston, Claire A. L.; Abel, Brooks A.; Coates, Geoffrey W. published the artcile< Bifunctional Catalysis Prevents Inhibition in Reversible-Deactivation Ring-Opening Copolymerizations of Epoxides and Cyclic Anhydrides>, Electric Literature of 118-45-6, the main research area is bifunctional catalysis ring opening copolymerization epoxide cyclic anhydride.

Reversible-deactivation chain transfer is a viable strategy to increase the catalytic efficiency of ring-opening polymerizations, such as the alternating copolymerization of epoxides and cyclic anhydrides. In conjunction with the catalyst, protic chain transfer agents (CTAs) initiate polymerization and facilitate rapid proton transfer between active and dormant chains. Functional-group-tolerant Lewis acid catalysts are therefore required to successfully apply protic CTAs in reversible-deactivation ring-opening copolymerizations (RD-ROCOP), yet the predominant binary Lewis acid catalyst/nucleophilic cocatalyst systems suffer lower polymerization rates when used with protic CTAs. New mechanistic insight into the inhibition pathways reveals that the alc. chain ends compete with epoxide binding to the Lewis acid and hydrogen-bond with anionic chain ends to impede epoxide ring opening. We report that a bifunctional aminocyclopropenium aluminum salen complex maintains excellent activity in the presence of protic functionality, exhibiting resilience against these inhibition pathways, even at high CTA concentrations We apply reversible-deactivation chain transfer in the bifunctional ROCOP system to demonstrate precise mol.-weight control, CTA functional group scope, and accessible polymer architectures.

Journal of the American Chemical Society published new progress about Anhydrides, cyclic Role: RCT (Reactant), RACT (Reactant or Reagent). 118-45-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H3ClO3, Electric Literature of 118-45-6.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Wu, Tong; Rajabimoghadam, Khashayar; Puri, Ankita; Hebert, David D.; Qiu, Yi Lin; Eichelberger, Sidney; Siegler, Maxime A.; Swart, Marcel; Hendrich, Michael P.; Garcia-Bosch, Isaac published the artcile< A 4H+/4e- Electron-Coupled-Proton Buffer Based on a Mononuclear Cu Complex>, Application of C8H12N2O2, the main research area is copper dimethoxyphenylenebistertbutylurea complex preparation redox potential frontier mol orbital; crystal structure copper dimethoxyphenylenebistertbutylurea complex.

In this research article, we describe a 4H+/4e- electron-coupled-proton buffer (ECPB) based on Cu and a redox-active ligand. The protonated/reduced ECPB (complex 1: [Cu(8H+/14e-)]1+), consisting of CuI with 2 equiv of the ligand (LH4: 1,1′-(4,5-dimethoxy-1,2-phenylene)bis(3-(tert-butyl)urea)), reacted with H+/e- acceptors such as O2 to generate the deprotonated/oxidized ECPB. The resulting compound, (complex 5: [Cu(4H+/10e-)]1+), was characterized by X-ray diffraction anal., NMR (1H-NMR), and d. functional theory, and it is electronically described as a cuprous bis(benzoquinonediimine) species. The stoichiometric 4H+/4e- reduction of 5 was carried out with H+/e- donors to generate 1 (CuI and 2 equiv of LH4) and the corresponding oxidation products. The 1/5 ECPB system catalyzed the 4H+/4e- reduction of O2 to H2O and the dehydrogenation of organic substrates in a decoupled (oxidations and reductions are separated in time and space) and a coupled fashion (oxidations and reductions coincide in time and space). Mechanistic anal. revealed that upon reductive protonation of 5 and oxidative deprotonation of 1, fast disproportionation reactions regenerate complexes 5 and 1 in a stoichiometric fashion to maintain the ECPB equilibrium

Journal of the American Chemical Society published new progress about Crystal structure. 27841-33-4 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H12N2O2, Application of C8H12N2O2.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Ma, Junjie; Ni, Xin; Gao, Yali; Huang, Kun; Wang, Yu; Liu, Jiaan; Gong, Guowei published the artcile< Semicarbazone derivatives bearing phenyl moiety: synthesis, anticancer activity, cell cycle, apoptosis-inducing and metabolic stability study>, HPLC of Formula: 611-19-8, the main research area is semicarbazone phenyl preparation antitumor activity; anticancer activity; apoptosis; metabolic stability; semicarbazone; sub-G1.

A series of semicarbazone derivatives bearing Ph moiety I [R = Me, Et; R1 = H, benzyloxidanyl, 2-(2H-1,3-benzodioxol-5-ylmethyl)-(1,3-thiazol-4-yl)-methyloxy, [(4-chlorophenyl)methyl]oxidanyl, etc.; R2 = t-Bu, H, prop-2-en-1-yl; R3 = H, t-Bu] was synthesized and evaluated for the vitro anticancer activities in four human cancer cell lines (human colon cancer (HT29), human neuroblastoma (SK-N-SH), human breast cancer (MDA-MB-231), and human gastric cancer (MKN45)). Biol. evaluation led to the identification of I [(I) R = Me, R1 H, R2 = R3 = t-Bu; (II) R = Et, R1 H, R2 = R3 = t-Bu], which showed excellent anticancer activities against tested cancer cell lines with IC50 values ranging from 0.32 to 1.57 μM, resp., while exhibiting weak cytotoxicity on the normal cells (human umbilical vein endothelial cell (HUVEC)). Flow cytometric assay for cell cycle and apoptosis revealed that (I) and (II) caused an arrest in the Sub-G1 cell cycle and inhibited proliferation of cancer cells by inducing apoptosis in a dose-dependent manner. Further enzymic assay suggested that (I) and (II) could significantly activated procaspase-3 to caspase-3. Metabolic stability study indicated that (I) and (II) showed moderate stability in vitro in human and rat liver microsomes. In view of promising pharmacol. activities of (I) and (II), which had emerged as the valuable lead for further development in the treatment for cancer.

Chemical & Pharmaceutical Bulletin published new progress about Antitumor agents. 611-19-8 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H6Cl2, HPLC of Formula: 611-19-8.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Khairnar, Pankaj V.; Lung, Tsai-Hui; Lin, Yi-Jung; Wu, Chi-Yi; Koppolu, Srinivasa Rao; Edukondalu, Athukuri; Karanam, Praneeth; Lin, Wenwei published the artcile< An Intramolecular Wittig Approach toward Heteroarenes: Synthesis of Pyrazoles, Isoxazoles, and Chromenone-oximes>, Synthetic Route of 17082-09-6, the main research area is diversity oriented synthesis pyrazole isoxazole chromenone oxime; intramol Wittig reaction alpha halohydrazone ketoxime.

α-Halohydrazones/ketoximes are transformed into trisubstituted pyrazoles/disubstituted isoxazoles by treatment with phosphine, acyl chloride, and a base. Mechanistic investigations revealed the in situ formation of azo/nitroso olefin intermediates which underwent a tandem phospha-Michael/N- or O-acylation/intramol. Wittig reaction to afford the heteroarenes in moderate to good yields. Further, proper functionalization of α-haloketoximes and a change of conditions allowed the chemoselective synthesis of chromenone-oximes as well as rearranged isoxazoles, thereby realizing a diversity-oriented synthesis.

Organic Letters published new progress about Benzopyrans Role: SPN (Synthetic Preparation), PREP (Preparation). 17082-09-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C9H7ClO, Synthetic Route of 17082-09-6.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Chen, Xia; Lu, Yuling; Guan, Zhenhua; Gu, Lianghu; Chen, Chunmei; Zhu, Hucheng; Luo, Zengwei; Zhang, Yonghui published the artcile< Synthesis of Succinimides via Intramolecular Alder-Ene Reaction of 1,6-Enynes>, Reference of 3240-10-6, the main research area is enyne diastereoselective Alder ene metal free green; succinimide stereoselective preparation.

A novel and convenient method has been developed for the facile synthesis of functionalized succinimide derivatives via intramol. Alder-ene reaction of 1,6-enynes. This reaction features mild and metal-free reaction conditions, which offers a green and efficient entry to synthetically important succinimide scaffolds. Preliminary mechanistic studies suggest that a diradical intermediate might be involved in this transformation.

Organic Letters published new progress about Alkenynes Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 3240-10-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C9H5ClO2, Reference of 3240-10-6.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Sui, Yan-Fei; Ansari, Mohammad Fawad; Zhou, Cheng-He published the artcile< Pyrimidinetrione-imidazoles as a Unique Structural Type of Potential Agents towards Candida Albicans: Design, Synthesis and Biological Evaluation>, Quality Control of 611-19-8, the main research area is imidazolylmethylene pyrimidinetrione preparation antifungal antibacterial cytotoxicity mol docking SAR; Antifungal; DNA; Imidazole; Membrane; Pyrimidinetrione.

A series of pyrimidinetrione-imidazole conjugates I [R1 = H, Et, 2-chlorobenzl, etc.] as potentially antifungal agents were developed. Bioassays manifested that I [R1 = 4-fluorobenzl] exerted favorable inhibition towards C. albicans (MIC=0.002 mM), being 6.5 folds more active than clin. antifungal drug fluconazole (MIC=0.013 mM). Preliminary mechanism research indicated that compound I [R1 = 4-fluorobenzl] could not only depolarize membrane potential but also permeabilize the membrane of C. albicans. Mol. docking was operated to simulate the interaction mode between mol. I [R1 = 4-fluorobenzl] and CYP51. In addition, hybrid I [R1 = 4-fluorobenzl] might form I [R1 = 4-fluorobenzl]-DNA supramol. complex via intercalating into DNA. The interference of membrane and DNA might contributed to its fungicidal capacity with no obvious tendency to induce the resistance against C. albicans. Conjugate I [R1 = 4-fluorobenzl] endowed good blood compatibility as well as low cytotoxicity towards HeLa and HEK-293T cells.

Chemistry – An Asian Journal published new progress about Antibacterial agents. 611-19-8 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H6Cl2, Quality Control of 611-19-8.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Hu, Ming-Hao; Lin, Jia-Hong published the artcile< New Dibenzoquinoxalines Inhibit Triple-Negative Breast Cancer Growth by Dual Targeting of Topoisomerase 1 and the c-MYC G-Quadruplex>, SDS of cas: 27841-33-4, the main research area is dibenzoquinoxaline preparation breast cancer topoisomerase 1 MYC quadruplex inhibitor.

As c-MYC is one of the central players in triple-neg. breast cancer (TNBC) oncogenesis, inhibiting c-MYC expression would be an effective anticancer strategy. Transcription-induced neg. supercoiling is crucial in the regulation of c-MYC transcription, which facilitates the formation of a G4 structure in NHE III1 that can silence the transcription. However, topoisomerase 1 (Topo1) can dissipate this neg. supercoiling, leading to continuous activation of c-MYC transcription. Thus, dual ligands targeting both Topo1 and c-MYC G4 appear to be significant in cancer therapy. In this study, a series of new dibenzoquinoxaline derivatives were designed, synthesized, and evaluated for both Topo1 and c-MYC inhibition. Among them, 11-Methoxy-3,6-bis(4-methylpiperazin-1-yl)dibenzo[a,c]-phenazine was identified as the most promising dual ligand, which could effectively inhibit Topo1 activity and strongly stabilize c-MYC G4, thereby inhibiting cancer cell growth. Accordingly, this work suggests that this dual-targeting strategy may be effective in cancer therapy.

Journal of Medicinal Chemistry published new progress about Animal gene, c-myc Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 27841-33-4 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H12N2O2, SDS of cas: 27841-33-4.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics