Category: 620-20-2

Cao, Chao-tun published the artcileInfluence of substituent and push-pull effect on the chemical shifts of the carbon in bridging bond of 1-furyl/thienyl-2-arylethylene, HPLC of Formula: 620-20-2, the publication is Journal of Physical Organic Chemistry (2021), 34(4), e4160, database is CAplus.

Sixty-six samples of 1-furyl/thienyl-2-arylethylene model compounds XCH=CHArY (abbreviated XEBY) were synthesized. The NMR spectra (NMR) of model compounds were determined The chem. shift δ_C(X) and δ_C(Y) of the carbon atoms in bridging bond CH=CH which connected to the X group and the ArY group, resp., were confirmed with the two-dimensional NMR method. The effect of substituent on the δ_C(X) and δ_C(Y) was studied, meanwhile, the push-pull effect of substituent on Δδ_C = δ_C(Y) – δ_C(X) and δ_C(Y/X) = δ_C(Y)/δ_C(X) were discussed. The results show the following: (a) Both the δC(X) and δC(Y) are affected by excited-state substituent constant σCCexX of group X, Hammett constant σ(Y), and excited-state substituent constantσCCexY of group Y. The effect of σ(Y) on the δ_C(X) is pos., whereas that on the δ_C(Y) is neg. That is to say, the σ(Y) of group Y has an alternative influence on the δ_C(X) and δ_C(Y). (b) Compared with furyl, there is a p-d effect formed by the 3d orbit of S atom and the p electron of the π system in thienyl, which increase the chem. shift of the carbon atoms in bridging bond. (c) The push-pull effect between substituent X and Y is not only affected by the σ parameter but also related to the σ_CC^ex parameter, which results from the combined effect of the two parameters σ and σ_CC^ex. The observation of this paper provides a new perspective in understanding the push-pull effect of substituent.

Journal of Physical Organic Chemistry published new progress about 620-20-2. 620-20-2 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Benzyl chloride,Benzene, name is 3-Chlorobenzylchloride, and the molecular formula is C7H6Cl2, HPLC of Formula: 620-20-2.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Cao, Chao-Tun published the artcileDetermination and application of the excited-state substituent constants of pyridyl and substituted phenyl groups, HPLC of Formula: 620-20-2, the publication is Journal of Physical Organic Chemistry (2021), 34(9), e4246, database is CAplus.

Thirty six 1-pyridyl-2-arylethenes XCH=CHArY (abbreviated XAEY) were synthesized, in which, X is 2-pyridyl, 3-pyridyl and 4-pyridyl, and Y is OMe, Me, H, Br, Cl, F, CF₃, and CN. Their UV absorption spectra were measured in anhydrous ethanol, and their wavelengths of absorption maximum, λ_max, were recorded. Also, 234 λ_max values of 1-substituted phenyl-2-arylethylene compounds (XAEY, where X is substituted phenyl) were collected. The excited-state substituent constants of three pyridyl groups and 23 substituted Ph groups (a total of 26) were obtained by means of the curve-fitting method. Taking the λ_max values of 358 samples of bi-arylethene derivatives as a data set and 126 samples of bi-aryl Schiff bases (including nine compounds synthesized by this work (data not shown)) as another data set, quant. correlation analyses were performed by employing the obtained excited-state substituent constants as a parameter, and good results were obtained for the two data sets. The reliability of the obtained excited-state substituent constant values was verified. The results of this paper provided excited-state substituent constants for the studied compounds and application of optical properties of conjugated organic compounds containing aryl groups.

Journal of Physical Organic Chemistry published new progress about 620-20-2. 620-20-2 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Benzyl chloride,Benzene, name is 3-Chlorobenzylchloride, and the molecular formula is C7H6Cl2, HPLC of Formula: 620-20-2.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Han, Fei published the artcileSynthesis and bioactivities of phenazine-1-carboxylic piperazine derivatives, Formula: C7H6Cl2, the publication is Natural Product Research (2020), 34(9), 1282-1287, database is CAplus and MEDLINE.

Phenazine-1-carboxylic acid (PCA) as a natural product which has significant inhibition effects against many soil-borne fungal phytopathogens in agricultural application and has been registered in China as the fungicide against rice sheath blight. In order to find new higher fungicidal activities lead compounds and develop new eco-friendly agrochems., we introduced substructure piperazines which also have high biol. activity into PCA, designed and synthesized a series of phenazine-1-carboxylic piperazine derivatives, and their structures were confirmed by ¹H NMR and HRMS. Most compounds exhibited certain in vitro fungicidal activities. In particular, Compounds exhibited the activity against all the tested pathogenic fungi, such as Rhizoctonia solani, Alternaria solani, Fusarium oxysporum, Fusarium graminearum, Pyricularia oryzae Cavgra, with the EC₅₀ value of 24.6μM, 42.9μM, 73.7μM, 73.8μM, 34.2μM, resp., more potent activities than PCA (33.2μM, 81.5μM, 186.5μM, 176.4μM, 37.3μM). This result provided a highly active lead compound for the further structure optimization design.

Natural Product Research published new progress about 620-20-2. 620-20-2 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Benzyl chloride,Benzene, name is 3-Chlorobenzylchloride, and the molecular formula is C7H6Cl2, Formula: C7H6Cl2.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Xu, Zhian published the artcileCuSO₄ nanoparticles loaded on carboxymethylcelulose/polyaniline composites: A highly efficient catalyst with enhanced catalytic activity in the synthesis of propargylamines, benzofurans, and 1,2,3-triazoles, Recommanded Product: 3-Chlorobenzylchloride, the publication is Applied Organometallic Chemistry (2021), 35(10), e6349, database is CAplus.

A novel and efficient heterogeneous CuSO₄ nanoparticles (CuSO₄ NPs) immobilized on CM-cellulose/polyaniline (CuSO₄NPs@CMC/PANI) composites were prepared via one-pot and one-step interfacial oxidative polymerization of aniline with sodium CM-cellulose (CMC) as soft template and CuSO₄ as catalyst. The in situ formed CuSO₄ NPs were dispersed uniformly and firmly on the resultant composites and stabilized by complexation with hydroxyl groups (OH), carboxylate groups (COO^–), nitrogen atoms, and delocalized π-π conjugate benzenoid and quinoid moieties of CMC/PANI composites. The morphol., composition, and structure of the as-fabricated composites were systematically characterized by XPS, transmission electron microscopy (TEM), SEM (SEM), energy-dispersive X-ray spectroscopy (EDS), Fourier transform IR spectroscopy (FTIR), X-ray diffraction (XRD), thermogravimetric anal. (TGA), and derivative thermogravimetry (DTG) techniques. The CuSO₄NPs@CMC/PANI composites were successfully applied as catalysts in aldehyde-alkyne-amine (A³) coupling reactions, A³-cycloisomerization tandem reactions, and Cu-catalyzed azide-alkyne cycloaddition (CuAAC) reactions. All reactions proceeded smoothly and afforded the desired products in excellent yields. Moreover, no significant decrease in catalytic ability was observed in A³ model reaction after 15 recycles, indicating CuSO₄NPs@CMC/PANI composites exhibited easy separability and high reusability. Tolerance of wide scope of substrate, excellent catalytic activity, easy operation, recycling of catalyst, and environmental benign are the salient features of these catalytic process.

Applied Organometallic Chemistry published new progress about 620-20-2. 620-20-2 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Benzyl chloride,Benzene, name is 3-Chlorobenzylchloride, and the molecular formula is C13H10O3, Recommanded Product: 3-Chlorobenzylchloride.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Zhang, Mingjuan published the artcileCopper immobilized on biomimetic assembled calcium carbonate/carboxymethylcellulose hybrid: a highly active recoverable catalyst for CuAAC reactions, Formula: C7H6Cl2, the publication is Research on Chemical Intermediates (2021), 47(9), 3883-3898, database is CAplus.

A novel copper immobilized on biomimetic assembled CM-cellulose/calcium carbonate hybrid (Cu^II@CMC/CaCO₃) as an efficient heterogeneous catalyst for the synthesis of 1,2,3-triazoles has been described herein. The fabrication of Cu^II@CMC/CaCO₃ is accomplished through a bioinspired mineralization process using sodium CM-cellulose (CMC-Na) as the template and ion exchange agent, while the metathesis, nucleation, assemble, hybridization, and immobilization of Cu(II) occurred by successful treatment with CaCl₂, Na₂CO₃, and CuSO₄ in water at room temperature The resultant Cu^II@CMC/CaCO₃ hybrid was well characterized by various analyses such as FT-IR, XRD, SEM, EDX, EDX-mapping, TEM, and TGA techniques. In the presence of low copper loading of Cu^II@CMC/CaCO₃ hybrid, benzylic halides, azide, and alkynes proceeded smoothly to afford 1,4-disubstituted 1,2,3-triazoles in high yields. The catalyst can be conveniently recovered from the reaction mixture by filter and reused for at least 5 consecutive runs with a slight drop in its catalytic activity. The remarkable activity and stability of the catalyst may be attributed to the coordination of both carboxyl and hydroxyl groups of the hybrid of CMC/CaCO₃.

Research on Chemical Intermediates published new progress about 620-20-2. 620-20-2 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Benzyl chloride,Benzene, name is 3-Chlorobenzylchloride, and the molecular formula is C9H7NO4, Formula: C7H6Cl2.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Barrios-Rivera, Jonathan published the artcileAsymmetric Transfer Hydrogenation of Unhindered and Non-Electron-Rich 1-Aryl Dihydroisoquinolines with High Enantioselectivity, Quality Control of 620-20-2, the publication is Organic Letters (2020), 22(16), 6283-6287, database is CAplus and MEDLINE.

The use of arene/Ru/TsDPEN catalysts bearing a heterocyclic group on the TsDPEN in the asym. transfer hydrogenation (ATH) of dihydroisoquinolines (DHIQs) containing meta- or para-substituted aromatic groups at the 1-position results in the formation of products of high enantiomeric excess. Previously, only 1-(ortho-substituted)aryl DHIQs, or with an electron-rich fused ring gave products with high enantioselectivity; therefore, this approach solves a long-standing challenge for imine ATH.

Organic Letters published new progress about 620-20-2. 620-20-2 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Benzyl chloride,Benzene, name is 3-Chlorobenzylchloride, and the molecular formula is C7H6Cl2, Quality Control of 620-20-2.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Jing, Lanlan published the artcileIdentification of highly potent and selective Cdc25 protein phosphatases inhibitors from miniaturization click-chemistry-based combinatorial libraries, Safety of 3-Chlorobenzylchloride, the publication is European Journal of Medicinal Chemistry (2019), 111696, database is CAplus and MEDLINE.

Cell division cycle 25 (Cdc25) protein phosphatases play key roles in the transition between the cell cycle phases and their association with various cancers has been widely proven, which makes them ideal targets for anti-cancer treatment. Though several Cdc25 inhibitors have been developed, most of them displayed low activity and poor subtype selectivity. Therefore, it is extremely important to discover novel small mol. inhibitors with potent activities and significant selectivity for Cdc25 subtypes, not only served as drugs to treat cancer but also to probe its mechanism in transitions. In this study, miniaturized parallel click chem. synthesis via CuAAC reaction followed by in situ biol. screening were used to discover selective Cdc25 inhibitors. The bioassay results showed that compound M2N12 proved to be the most potent Cdc25 inhibitor, which also act as a highly selective Cdc25C inhibitor and was about 9-fold potent than that of NSC 663284. Moreover, M2N12 showed remarkable anti-growth activity against the KB-VIN cell line, equivalent to that of PXL and NSC 663284. An all-atom mol. dynamics (MD) simulation approach was further employed to probe the significant selectivity of M2N12 for Cdc25C relative to its structural homologs Cdc25A and Cdc25B. Overall, above results make M2N12 a promising lead compound for further investigation and structural modification.

European Journal of Medicinal Chemistry published new progress about 620-20-2. 620-20-2 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Benzyl chloride,Benzene, name is 3-Chlorobenzylchloride, and the molecular formula is C7H6Cl2, Safety of 3-Chlorobenzylchloride.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Nasim, Muhammad Jawad published the artcilePronounced activity of aromatic selenocyanates against multidrug resistant ESKAPE bacteria, SDS of cas: 620-20-2, the publication is New Journal of Chemistry (2019), 43(15), 6021-6031, database is CAplus.

Selenocyanates represent an interesting class of organic selenium compounds Due to their similarity with better known natural (iso-)thiocyanates, they promise high biol. activity and may also be metabolized to other reactive selenium species (RSeS), such as selenols, diselenides, and seleninic acids. Thirteen arylmethyl selenocyanates were synthesized and evaluated for potential antimicrobial, nematicidal, and cytotoxic activity. The compounds exhibit pronounced antimicrobial activity against various strains of Gram-pos. and Gram-neg. bacteria and yeasts, including multidrug resistant strains. The results obtained so far demonstrate that these arylmethyl selenocyanates are also non-mutagenic and have limited cytotoxicity against human cells. Here, benzyl selenocyanate represents the most active anti-ESKAPE agent, with potent activity against multidrug resistant MRSA strains (HEMSA 5) with a competitive MIC value of just 0.76 μg/mL (3.88 μM), whereas it exhibits low(er) cytotoxicity (IC₅₀ = 31 μM) and no mutagenicity against mammalian cells. Due to this selective antimicrobial activity, aromatic selenocyanates may provide an interesting lead in the development of antimicrobial agents, particularly in the context of drug resistance.

New Journal of Chemistry published new progress about 620-20-2. 620-20-2 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Benzyl chloride,Benzene, name is 3-Chlorobenzylchloride, and the molecular formula is C7H6Cl2, SDS of cas: 620-20-2.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Forster, Michael published the artcileImproved Multigram Route to a Tricyclic Key Intermediate for Dibenzosuberone-Based p38 Inhibitors via an Optimized Early-Stage Heck Coupling, Application In Synthesis of 620-20-2, the publication is Organic Process Research & Development (2021), 25(8), 1831-1840, database is CAplus.

The p38α MAP kinase has been a heavily investigated target in the last two decades. The structural class of dibenzosuberone-based p38 inhibitors, exemplified by the promising candidate skepinone-L, was already successfully validated in several in vivo models of inflammatory as well as oncol. indications. The increasing demand of key intermediates and final compounds caused by the ongoing development of this inhibitor class urged the conception of an optimized route for the preparation of the core dibenzosuberone scaffold in multigram quantities. Rerouting of the initial discovery route resulted in an almost 4-fold increase of overall yield to 46%, the elimination of chromatog. purification, and the substitution of two critical reaction steps, which hindered a feasible scale-up. The key modification was the introduction and optimization of an early-stage Heck coupling based on Buchwald precatalysts allowing consistently high yields (ca. 90%) at multigram scales with a favorably low Pd loading of 0.1 mol %. This newly developed synthetic access to the dibenzosuberone intermediate 2-chloro-7-hydroxy-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-one is capable of ensuring the supply of skepinone-L and other candidates during further development.

Organic Process Research & Development published new progress about 620-20-2. 620-20-2 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Benzyl chloride,Benzene, name is 3-Chlorobenzylchloride, and the molecular formula is C7H6Cl2, Application In Synthesis of 620-20-2.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Liu, Limin published the artcileDesign, synthesis and antitumor activity evaluation of trifluoromethyl-substituted pyrimidine derivatives, HPLC of Formula: 620-20-2, the publication is Bioorganic & Medicinal Chemistry Letters (2021), 128268, database is CAplus and MEDLINE.

In order to find efficient new antitumor drugs, a series of novel trifluoromethyl-substituted pyrimidine derivatives were designed and synthesized and the bioactivity against four human tumor cells (PC-3, MGC-803, MCF-7 and H1975) was evaluated by MTT assay. Compound I displayed potent anti-proliferative activity on H1975 (IC₅₀ = 2.27 μM), which was better than the pos. control 5-FU (IC₅₀ = 9.37 μM). Further biol. evaluation studies showed that compound I apoptosis of H1975 cells and arrested the cell cycle at G2/M phase. Furthermore, compound I induced H1975 cells apoptosis through increasing the expression of pro-apoptotic proteins Bax and p53 and down-regulating the anti-apoptotic protein Bcl-2. In addition, compound I was able to be tightly embedded in the active pocket of EGFR. These results demonstrated that compound I has a potential as a lead compound for further investigation.

Bioorganic & Medicinal Chemistry Letters published new progress about 620-20-2. 620-20-2 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Benzyl chloride,Benzene, name is 3-Chlorobenzylchloride, and the molecular formula is C7H6Cl2, HPLC of Formula: 620-20-2.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics