Tag: M.W=100-150

Iranpoor, N.; Firouzabadi, H.; Aghapour, Gh.; Vaez zadeh, A. R. published the artcile< Triphenylphosphine/2,3-dichloro-5,6-dicyanobenzoquinone as a new, selective and neutral system for the facile conversion of alcohols, thiols and selenols to alkyl halides in the presence of halide ions>, Name: 2-(2-Chloroethyl)thiophene, the main research area is selenol triphenylphosphine dichlorodicyanobenzoquinone halide; alc triphenylphosphine dichlorodicyanobenzoquinone halide; benzenemethanol triphenylphosphine dichlorodicyanobenzoquinone halide; benzyl alc triphenylphosphine dichlorodicyanobenzoquinone halide; DDQ triphenylphosphine halide alc selenol diol benzenemethanol; diol triphenylphosphine dichlorodicyanobenzoquinone halide; alkanethiol triphenylphosphine dichlorodicyanobenzoquinone halide; alkanol triphenylphosphine dichlorodicyanobenzoquinone halide; alkyl halide preparation alc triphenylphosphine dichlorodicyanobenzoquinone halide; chloromethyl benzene preparation triphenylphosphine dichlorodicyanobenzoquinone halide; ethanediol triphenylphosphine dichlorodicyanobenzoquinone halide dibromoethane preparation.

A mixture of triphenylphosphine (Ph3P) and 2,3-dichloro-5,6-dicyanobenzoquinone in CH2Cl2 affords a complex which in the presence of R4NX (X=Cl, Br, I) converts alcs., thiols and selenols into their corresponding alkyl halides in high yields at room temperature The method is highly selective for the conversion of 1° alcs. in the presence of 2° ones and also 1° and 2° alcs. in the presence of 3° alcs., thiols, epoxides, trimethylsilyl- and tetrahydropyranyl ethers, 1,3 dithianes, disulfides, and amides.

Tetrahedron published new progress about Alcohols Role: RCT (Reactant), RACT (Reactant or Reagent). 19995-38-1 belongs to class chlorides-buliding-blocks, and the molecular formula is C6H7ClS, Name: 2-(2-Chloroethyl)thiophene.

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

Longwitz, Lars; Jopp, Stefan; Werner, Thomas published the artcile< Organocatalytic Chlorination of Alcohols by P(III)/P(V) Redox Cycling>, Formula: C6H7ClS, the main research area is alkyl chloride preparation organocatalyst alc chlorination.

A catalytic system for the chlorination of alcs. under Appel conditions was developed. Benzotrichloride was used as a cheap and readily available chlorinating agent in combination with trioctylphosphine as the catalyst and phenylsilane as the terminal reductant. The reaction has several advantages over other variants of the Appel reaction, e.g., no addnl. solvent is required and the phosphine reagent was used only in catalytic amounts In total, 27 different primary, secondary, and tertiary alkyl chlorides were synthesized in yields up to 95%. Under optimized conditions, it was also possible to convert epoxides and an oxetane to the dichlorinated products.

Journal of Organic Chemistry published new progress about Alcohols Role: RCT (Reactant), RACT (Reactant or Reagent). 19995-38-1 belongs to class chlorides-buliding-blocks, and the molecular formula is C6H7ClS, Formula: C6H7ClS.

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

Tilekar, Kalpana; Hess, Jessica D.; Upadhyay, Neha; Schweipert, Markus; Flath, Felix; Gutierrez, Denisse A.; Loiodice, Fulvio; Lavecchia, Antonio; Meyer-Almes, Franz-Josef; Aguilera, Renato J.; Ramaa, C. S. published the artcile< HDAC4 Inhibitors with Cyclic Linker and Non-hydroxamate Zinc Binding Group: Design, Synthesis, HDAC Screening and in vitro Cytotoxicity evaluation.>, Application of C7H8ClN, the main research area is HDAC inhibitor screening cytotoxicity cyclic linker nonhydroxamate zinc binding.

Recent evidences highlight the usefulness of small mol. (Histone deacetylase 4) HDAC4 inhibitors in the several preclin. paradigms. Major toxicity and mutagenicity issues associated with hydroxamate HDAC inhibitors, stimulated us to develop potent non-hydroxamate inhibitors. In the present work a novel series of thiazolidinedione (TZD) derivatives with pyridine as cyclic linker and TZD ring as zinc binding group was designed and screened in a panel of isoenzymes of HDACs, wherein the most potent compounds exhibiting HDAC4 IC50-values<5 μM were 5 v, 5 w, 5 y and 5 z (IC50=4.2±1 μM, 0.75±0.03 μM, 4.9±0.5 and 2.3±0.5 μM, resp.). The docking studies displayed the unique binding mode of this series of compound at active site of HDAC4, wherein TZD ring was indicated as zinc binding group. Further, 5 w and 5 y were found as the most potent antiproliferative agent in lymphoblastic leukemia (CCRF-CEM) and breast cancer MDA-MB-231 cells. Compound 5 y was found to induce the apoptosis and DNA fragmentation of CEM cells. The western blotting anal. of 5 y also showed the presence of cleaved caspases supporting their apoptotic nature. Further, Class IIa (HDAC4) selectivity of 5 y was also supported by western blotting observations, wherein 5 y caused the accumulation of acetylated H3 but not of acetylated Tubulin. Thus, our findings endorse the further investigation of this series of compounds for their potential as targeted cancer therapeutic agents. ChemistrySelect published new progress about Acetylated histone H3 Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 29027-20-1 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H8ClN, Application of C7H8ClN.

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

Stadler, Sonja M.; Goettker-Schnetmann, Inigo; Mecking, Stefan published the artcile< Incorporation of Radicals during Ni(II)-Catalyzed Ethylene Insertion Polymerization>, Category: chlorides-buliding-blocks, the main research area is nickel catalyzed ethylene insertion polymerization radical incorporation.

A possible involvement of radicals in catalytic insertion chain growth remains elusive, albeit it could account for thus far inconclusive exptl. observations and enable yet unachieved synthetic reaction schemes. This work shows that radicals present, deliberately generated for this purpose, are incorporated as end groups in ethylene insertion polymerizations Azo initiators (R-N = N-R’ with R = C(CH3)2COOMe, Ph, 3,5-F2C6H3) added to pressure reactor Ni(II)salicylaldiminato-catalyzed ethylene polymerizations afforded initiator-derived aryl or alkyl end groups, resp., as revealed by in-depth NMR studies of the polymer formed. The observation of addnl. solvent- derived aryl end groups, originating from radical transfer to toluene, underlines that end groups are indeed formed from radicals. Evidence for incorporation as a chain-initiating as well as -terminating end group is discussed.

ACS Catalysis published new progress about Crystal structure. 1435-43-4 belongs to class chlorides-buliding-blocks, and the molecular formula is C6H3ClF2, Category: chlorides-buliding-blocks.

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

Xu, Jinhui; Cao, Jilei; Wu, Xiangyang; Wang, Han; Yang, Xiaona; Tang, Xinxin; Toh, Ren Wei; Zhou, Rong; Yeow, Edwin K. L.; Wu, Jie published the artcile< Unveiling Extreme Photoreduction Potentials of Donor-Acceptor Cyanoarenes to Access Aryl Radicals from Aryl Chlorides>, Application In Synthesis of 1435-43-4, the main research area is aryl chloride boronate light cyanoarene photoreductive borylation catalyst; arylboronate preparation; phosphine aryl chloride light cyanoarene phosphorylation catalyst; arylphosphonium salt preparation.

Since the seminal work of Zhang in 2016, donor-acceptor cyanoarene-based fluorophores, such as 1,2,3,5-tetrakis(carbazol-9-yl)-4,6-dicyanobenzene (4CzIPN), have been widely applied in photoredox catalysis and used as excellent metal-free alternatives to noble metal Ir- and Ru-based photocatalysts. However, all the reported photoredox reactions involving this chromophore family are based on harnessing the energy from a single visible light photon, with a limited range of redox potentials from -1.92 to +1.79 V vs SCE. Here, we document the unprecedented discovery that this family of fluorophores can undergo consecutive photoinduced electron transfer (ConPET) to achieve very high reduction potentials. One of the newly synthesized catalysts, 2,4,5-tri(9H-carbazol-9-yl)-6-(ethyl(phenyl)amino)isophthalonitrile (3CzEPAIPN), possesses a long-lived (12.95 ns) excited radical anion form, 3CzEPAIPN•-*, which can be used to activate reductively recalcitrant aryl chlorides (Ered ≈ -1.9 to -2.9 V vs SCE) under mild conditions. The resultant aryl radicals can be engaged in synthetically valuable aromatic C-B, C-P, and C-C bond formation to furnish arylboronates, arylphosphonium salts, arylphosphonates, and spirocyclic cyclohexadienes.

Journal of the American Chemical Society published new progress about Aromatic nitriles Role: CAT (Catalyst Use), SPN (Synthetic Preparation), USES (Uses), PREP (Preparation). 1435-43-4 belongs to class chlorides-buliding-blocks, and the molecular formula is C6H3ClF2, Application In Synthesis of 1435-43-4.

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

Sawodny, Wolfgang; Niedenzu, Kurt; Hynes, John B.; Dawson, John W. published the artcile< Vibrational spectra of trihalo-s-triazines C3F3-nClnN3>, Application In Synthesis of 1435-43-4, the main research area is TRIAZINES VIBRATIONAL SPECTRA; HALOTRIAZINES VIBRATIONAL SPECTRA; TRIHALOTRIAZINES VIBRATIONAL SPECTRA.

The ir and Raman spectra of 2-fluoro-4,6-dichloro-s-triazine and 2,4-difluoro-6-chloro-s-triazine were recorded and an assignment of the normal vibrations in the series C3Cl3-nFnN3 is proposed. The ir spectra of the series C3Br3-nFnN3 are evaluated in somewhat less detail. 24 references.

Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy published new progress about 1435-43-4. 1435-43-4 belongs to class chlorides-buliding-blocks, and the molecular formula is C6H3ClF2, Application In Synthesis of 1435-43-4.

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

Budiman, Yudha P.; Lorenzen, Sabine; Liu, Zhiqiang; Radius, Udo; Marder, Todd B. published the artcile< Base-Free Pd-Catalyzed C-Cl Borylation of Fluorinated Aryl Chlorides>, Quality Control of 1435-43-4, the main research area is palladium catalyzed carbon chloride bond activation borylation fluoroaryl chloride; fluoroaryl borane preparation; boronate ester; borylation; cross-coupling; fluoroarene; palladium-catalyzed.

Catalytic C-X borylation of aryl halides containing two ortho-fluorines is challenging, as most previous methods require stoichiometric amounts of base and the polyfluorinated aryl boronates suffer from protodeboronation, which is accelerated by ortho-F substituents. Herein, the authors report that a combination of Pd(dba)2 (dba = dibenzylideneacetone) with SPhos (2-dicyclohexylphosphino-2′,6′-dimethoxybiphenyl) as a ligand is efficient to catalyze the C-Cl borylation of aryl chlorides containing two ortho-F substituents. This method, conducted under base-free conditions, is compatible with the resulting di-ortho-fluorinated aryl boronate products which are sensitive to base.

Chemistry – A European Journal published new progress about Aryl chlorides Role: RCT (Reactant), RACT (Reactant or Reagent) (fluorinated). 1435-43-4 belongs to class chlorides-buliding-blocks, and the molecular formula is C6H3ClF2, Quality Control of 1435-43-4.

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

Du, Guangyan; Rao, Suman; Gurbani, Deepak; Henning, Nathaniel J.; Jiang, Jie; Che, Jianwei; Yang, Annan; Ficarro, Scott B.; Marto, Jarrod A.; Aguirre, Andrew J.; Sorger, Peter K.; Westover, Kenneth D.; Zhang, Tinghu; Gray, Nathanael S. published the artcile< Structure-Based Design of a Potent and Selective Covalent Inhibitor for SRC Kinase That Targets a P-Loop Cysteine>, Application of C7H8ClN, the main research area is drug target design SRC kinase inhibitor antitumor.

SRC is a major regulator of many signaling pathways and contributes to cancer development. However, development of a selective SRC inhibitor has been challenging, and FDA-approved SRC inhibitors, dasatinib and bosutinib, are multi-targeted kinase inhibitors. Here, we describe our efforts to develop a selective SRC covalent inhibitor by targeting cysteine 277 on the P-loop of SRC. Using a promiscuous covalent kinase inhibitor (CKI) SM1-71 as a starting point, we developed covalent inhibitor 15a, which discriminates SRC from other covalent targets of SM1-71 including TAK1 and FGFR1. As an irreversible covalent inhibitor, compound 15a exhibited sustained inhibition of SRC signaling both in vitro and in vivo. Moreover, 15a exhibited potent antiproliferative effects in nonsmall cell lung cancer cell lines harboring SRC activation, thus providing evidence that this approach may be promising for further drug development efforts.

Journal of Medicinal Chemistry published new progress about Antiproliferative agents. 29027-20-1 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H8ClN, Application of C7H8ClN.

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

Pourmazaheri, Helen; Soorni, Aboozar; Kohnerouz, Bahram Baghban; Dehaghi, Nafiseh Khosravi; Kalantar, Enayatollah; Omidi, Mansoor; Naghavi, Mohammad Reza published the artcile< Comparative analysis of the root and leaf transcriptomes in Chelidonium majus L.>, Safety of 1-Chloropyrrolidine-2,5-dione, the main research area is Chelidonium benzylisoquinoline alkaloid transcriptome gene ontol functional annotation.

Chelidonium majus is a traditional medicinal plant, which commonly known as a rich resource for the major benzylisoquinoline alkaloids (BIAs), including morphine, sanguinarine, and berberine. To understand the biosynthesis of C. majus BIAs, we performed de novo transcriptome sequencing of its leaf and root tissues using Illumina technol. Following comprehensive evaluation of de novo transcriptome assemblies produced with five programs including Trinity, Bridger, BinPacker, IDBA-tran, and Velvet/Oases using a series of k-mer sizes (from 25 to 91), BinPacker was found to produce the best assembly using a k-mer of 25. This study reports the results of differential gene expression (DGE), functional annotation, gene ontol. (GO) anal., classification of transcription factor (TF)s, and SSR and miRNA discovery. Our DGE anal. identified 6,028 transcripts that were up-regulated in the leaf, and 4,722 transcripts that were up-regulated in the root. Further investigations showed that most of the genes involved in the BIA biosynthetic pathway are significantly expressed in the root compared to the leaf. GO anal. showed that the predominant GO domain is “”cellular component””, while TF anal. found bHLH to be the most highly represented TF family. Our study further identified 10 SSRs, out of a total of 39,841, that showed linkage to five unigenes encoding enzymes in the BIA pathway, and 10 conserved miRNAs that were previously not detected in this plant. The comprehensive transcriptome information presented herein provides a foundation for further explorations on study of the mol. mechanisms of BIA synthesis in C. majus.

PLoS One published new progress about Alkaloids Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 128-09-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C4H4ClNO2, Safety of 1-Chloropyrrolidine-2,5-dione.

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

Riley, Kevin E.; Murray, Jane S.; Fanfrlik, Jindrich; Rezac, Jan; Sola, Ricardo J.; Concha, Monica C.; Ramos, Felix M.; Politzer, Peter published the artcile< Halogen bond tunability II: the varying roles of electrostatic and dispersion contributions to attraction in halogen bonds>, Reference of 1435-43-4, the main research area is halogen bond tunability electrostatic dispersion contribution attraction.

In a previous study we investigated the effects of aromatic fluorine substitution on the strengths of the halogen bonds in halobenzene…acetone complexes (halo = chloro, bromo, and iodo). In this work, we have examined the origins of these halogen bonds (excluding the iodo systems), more specifically, the relative contributions of electrostatic and dispersion forces in these interactions and how these contributions change when halogen σ-holes are modified. These studies have been carried out using d. functional symmetry adapted perturbation theory (DFT-SAPT) and through analyses of intermol. correlation energies and mol. electrostatic potentials. It is found that electrostatic and dispersion contributions to attraction in halogen bonds vary from complex to complex, but are generally quite similar in magnitude. Not surprisingly, increasing the size and pos. nature of a halogen’s σ-hole dramatically enhances the strength of the electrostatic component of the halogen bonding interaction. Not so obviously, halogens with larger, more pos. σ-holes tend to exhibit weaker dispersion interactions, which is attributable to the lower local polarizabilities of the larger σ-holes.

Journal of Molecular Modeling published new progress about Correlation energy. 1435-43-4 belongs to class chlorides-buliding-blocks, and the molecular formula is C6H3ClF2, Reference of 1435-43-4.

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