Month: October 2022

Pan, Jin-Long; Liu, Tuan-Qing; Chen, Chao; Li, Quan-Zhe; Jiang, Wei; Ding, Tong-Mei; Yan, Zhi-Qiang; Zhu, Guo-Dong published the artcile< Rhodium(III)-catalysed cascade [3 + 2] annulation of N-aryloxyacetamides with 3-(hetero)arylpropiolic acids: synthesis of benzofuran-2(3H)-ones>, Application of C9H5ClO2, the main research area is benzofuranone preparation stereoselective regioselective fluorescence; aryloxyacetamide arylpropiolic acid annulation rhodium catalyst.

Herein, a cascade [3 + 2] annulation of N-aryloxyacetamides with 3-(hetero)arylpropiolic acids affording benzofuran-2(3H)-ones I (R = 7-CH3, 7-Cl, 6-CF3,etc.; Ar = C6H5, 4-MeC6H4, 3-FC6H4, etc.) via rhodium(III)-catalyzed redox-neutral C-H functionalization/isomerization/lactonization using an internal oxidative directing group O-NHAc was achieved. This catalytic system provides a regio- and stereoselective approach to synthesize (Z)-3-(amino(aryl)methylene)benzofuran-2(3H)-ones with exclusive Z configuration selectivity, acceptable yields and good functional group tolerance. Preliminary investigations on UV-visible and fluorescence behaviors reveal that the annulation products may be applied as a promising fluorescent probe for sensing metal cations, especially for cerium (Ce3+).

Organic & Biomolecular Chemistry published new progress about Acetamides Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation) (N-aryloxy). 3240-10-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C9H5ClO2, Application of C9H5ClO2.

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

Krylov, Igor B.; Kompanets, Mykhailo O.; Novikova, Katerina V.; Opeida, Iosip O.; Kushch, Olga V.; Shelimov, Boris N.; Nikishin, Gennady I.; Levitsky, Dmitri O.; Terentev, Alexander O. published the artcile< Well-known mediators of selective oxidation with unknown electronic structure: Metal-free generation and EPR study of imide-N-oxyl radicals>, COA of Formula: C8H3ClO3, the main research area is mediator selective oxidation electronic structure imideNoxyl radical.

Nitroxyl radicals are widely used in chem., materials sciences, and biol. Imide-N-oxyl radicals are subclass of unique nitroxyl radicals that proved to be useful catalysts and mediators of selective oxidation and CH-functionalization. An efficient metal-free method was developed for the generation of imide-N-oxyl radicals from N-hydroxyimides at room temperature by the reaction with (diacetoxyiodo)benzene. The method allows for the production of high concentrations of free radicals and provides high resolution of their EPR spectra exhibiting the superhyperfine structure from benzene ring protons distant from the radical center. An anal. of the spectra shows that, regardless of the electronic effects of the substituents in the benzene ring, the superhyperfine coupling constant of an unpaired electron with the distant protons at positions 4 and 5 of the aromatic system is substantially greater than that with the protons at positions 3 and 6 that are closer to the N-oxyl radical center. This is indicative of an unusual character of the spin d. distribution of the unpaired electron in substituted phthalimide-N-oxyl radicals. Understanding of the nature of the electron d. distribution in imide-N-oxyl radicals may be useful for the development of com. mediators of oxidation based on N-hydroxyimides.

Journal of Physical Chemistry A published new progress about Electron spin density. 118-45-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H3ClO3, COA of Formula: C8H3ClO3.

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

Wei, Zeyang; Zhang, Qi; Tang, Meng; Zhang, Siyu; Zhang, Qian published the artcile< Diversity-Oriented Synthesis of 1,2,4-Triazols, 1,3,4-Thiadiazols, and 1,3,4-Selenadiazoles from N-Tosylhydrazones>, Quality Control of 70057-67-9, the main research area is triazol thiadiazol selenadiazole preparation; tosylhydrazone tosylhydrazonoyl chloride.

The diversity-oriented synthesis of 1,2,4-triazols, 1,3,4-thiadiazols, and 1,3,4-selenadiazoles from N-tosylhydrazones was developed, and the reactions were general for a wide range of substrates, in which NH2CN, KOCN, KSCN, and KSeCN were used as odorless sources. Two different pathways were proposed, and N-tosylhydrazonoyl chlorides were formed in situ in the presence of NCS.

Organic Letters published new progress about Cyanamides Role: RCT (Reactant), RACT (Reactant or Reagent). 70057-67-9 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H6ClN3S, Quality Control of 70057-67-9.

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

Sarkate, Aniket P.; Shinde, Devanand B. published the artcile< Synthesis and docking studies of ethyl 4-(4-((2-(nitrooxy)ethoxy)carbonyl)phenyl)-2-substituted-6-substitutedphenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate as anti-inflammatory, analgesic and nitric oxide releasing agents>, SDS of cas: 162046-61-9, the main research area is pyrimidine derivative anti inflammatory analgesic nitric oxide.

In the present study, a series of pyrimidine derivatives (6a-6z) was synthesized and tested for its anti-inflammatory, analgesic and nitric oxide releasing activity. The main aim of this study was to develop new chem. entities as potential anti-inflammatory agents. In this article, synthesis of a series of mols. containing important pharmacophore substituted diaryl rings on 6-membered heterocycle similar to coxibs and nitric oxide releasing moiety are described. All the synthesized compounds were tested in vivo for their anti-inflammatory, analgesic studies and in vitro for their nitric oxide-releasing properties. Out of the twenty six synthesized compounds, four compounds showed significant anti-inflammatory and analgesic activity which was compared with standard All the synthesized compounds exhibited significant nitric oxide-releasing activity.

Research Journal of Pharmaceutical, Biological and Chemical Sciences published new progress about Analgesics. 162046-61-9 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H4ClF3O2, SDS of cas: 162046-61-9.

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

Lu, Shi-Chao; Chang, Zhi-Xin; Xiao, Yu-Liang; Li, Hong-Shuang published the artcile< Regio- and Stereoselective Synthesis of 2-Hydroxymethyl-1,3-enynes by Rhodium-Catalyzed Decarboxylative C-C Coupling>, Name: 3-(4-Chlorophenyl)propiolic acid, the main research area is hydroxymethyl enyne preparation regioselective diastereoselective; propiolic acid propargyl alc decarboxylative coupling rhodium catalyst.

A regio- and stereoselective protocol for rhodium(I)-catalyzed decarboxylative C-C coupling between propiolic acids R1CCC(O)2H (R1 = CH3, C6H5, 1-benzothiophen-2-yl, etc.) and propargyl alcs. R2R3C(OH)CCR2 (R2R3 = -(CH2)4-, R4 = CH3; R2 = R3 = H, R4 = CH3; R2 = CH3, R3 = C6H5, R4 = H, etc.) has been achieved. This efficient catalytic approach could facilitate the preparation of a diversity of synthetically valuable 2-hydroxymethyl-1,3-enynes (Z)-R2R3C(OH)C(CCR1)=CHR4 with high Z-stereoselectivity. Notably, non-terminal alkynes were smoothly transformed into the target products that show intriguing synthetic utility.

Advanced Synthesis & Catalysis published new progress about Alcohols, propargyl Role: RCT (Reactant), RACT (Reactant or Reagent). 3240-10-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C9H5ClO2, Name: 3-(4-Chlorophenyl)propiolic acid.

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

Ha, Hyeonbin; Kim, Youngik; Kim, Dopil; Lee, Jihyun; Song, Yoodae; Kim, Suyeon; Park, Myung Hwan; Kim, Youngjo; Kim, Hyungjun; Yoon, Minyoung; Kim, Min published the artcile< Effect of the Metal within Regioisomeric Paddle-Wheel-Type Metal-Organic Frameworks>, Product Details of C4H4ClNO2, the main research area is transition metal DABCO terephthalate preparation gas adsorption calculated structure; crystal structure zinc cobalt amino chloro regioisomeric benzenedicarboxylate MOF; coordination polymers; flexibility; metal cation effect; metal-organic frameworks; regioselectivity.

The effect of metal on the degree of flexibility upon evacuation of metal-organic frameworks (MOFs) was revealed with positional control of the organic functionalities. Although Co-, Cu-, and Zn-based DMOFs (DMOF = DABCO MOF, DABCO = 1,4-diazabicyclo[2.2.2]octane) with terephthalate containing ortho-ligands (2,3-NH2Cl) have frameworks that are inflexible upon evacuation, MOFs with para-ligands (2,5-NH2Cl) showed different N2 uptake amounts after evacuation by metal exchange. Considering that the structural analyses were not fully sufficiently different to explain the drastic changes in N2 adsorption after evacuation, quantum chem. simulation was explored. A new index (η) was defined to quantify the regularity around the metal based on differences in the O-metal-O angles. Within 2,5-NH2Cl, the η value becomes larger as the metal are varied from Co to Zn. A large η value means that the structures around the metal center are less ordered. These results can be used to explain flexibility changes upon evacuation by altering the metal cation in this regioisomeric system.

Chemistry – A European Journal published new progress about Crystal structure. 128-09-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C4H4ClNO2, Product Details of C4H4ClNO2.

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

Asgari, Mohammad Sadegh; Bahadorikhalili, Saeed; Ghaempanah, Aram; Rashidi Ranjbar, Parviz; Rahimi, Rahmatollah; Abbasi, Alireza; Larijani, Bagher; Mahdavi, Mohammad published the artcile< Copper-catalyzed one-pot synthesis of amide linked 1,2,3-triazoles bearing aryloxy skeletons>, Application In Synthesis of 611-19-8, the main research area is aryloxy amide linked triazole preparation copper catalyst; bromopropynyl benzamide benzyl halide one pot click reaction.

In this paper, novel amide linked 1,2,3-triazoles containing aryloxy derivatives were synthesized via copper-catalyzed one-pot sequential hydroxylation-O-alkylation/click reaction of 2-bromo-N-prop-2-ynyl-benzamides. The products were synthesized in an efficient way in high isolated yields. The synthetic method involves the use of 2-bromo-N-prop-2-ynyl-benzamide and various benzyl halides over a one-pot copper-catalyzed hydroxylation-O-alkylation/click reaction. In-situ prepared phenol moiety in H2O/DMF as a solventco-solvent system prompted to perform a reaction between benzyl halide and phenols. The step economic feature of the method leads to the synthesis of the products in high isolated yields.

Tetrahedron Letters published new progress about Benzyl halides Role: RCT (Reactant), RACT (Reactant or Reagent). 611-19-8 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H6Cl2, Application In Synthesis of 611-19-8.

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

Bott, R. W.; Eaborn, C.; Leyshon, K. published the artcile< Organosilicon compounds. XXVII. The reaction between trichlorosilane and 4-chlorophenylbut-1-enes>, Application of C8H8BrCl, the main research area is .

Cl3SiH react, with 4-m- and 4-p-chlorophenylbut-1-ene in the presence of chloroplatinic acid to give benzylsilicon compounds, ClC6H4CH(SiCl3)(CH2)2Me, in addition to the expected straight-chain compounds, ClC6H4(CH2)4SiCl3.

Journal of the Chemical Society published new progress about 16799-05-6. 16799-05-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H8BrCl, Application of C8H8BrCl.

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

Zhang, Xiao; Li, Shaochen; Yang, Yandong; Zhao, Yuanhui; Qu, Jiao; Li, Chao published the artcile< Predicting reaction rate constants of ozone with ionic/non-ionic compounds in water>, Reference of 16766-30-6, the main research area is nonylphenol chloroguaiacol ozone reaction rate drinking water purification; Ionic/non-ionic compounds; Ozonation; Partial least squares (PLS); Quantitative structure–activity relationship; Reaction rate constant.

Ozonation is a significant technol. for the mitigation of pollutants in water. The second-order reaction rate constant (kO3) of ozone (O3) with compounds is essential for measuring their reactivity toward O3 and understanding their fate during ozonation. However, there is a huge gap between the number of existing chems. and the available exptl. kO3 values. Moreover, the reactivity of ionizable compounds with different ionization forms toward O3 may differ greatly. In this study, two quant. structure activity relationship (QSAR) models for non-ionic and ionic species, are resp. established with partial least squares (PLS) and support vector machine (SVM) methods based on the large datasets (324 non-ionic states and 188 ionic states). These models exhibit good fitting ability (non-ionic model: R2tr > 0.760; ionic model: R2tr > 0.780), robustness (Q2CUM > 0.700), predictive performance (non-ionic model: R2ext > 0.760; ionic model: R2ext > 0.810) and wide applicability domain. The mol. parameters in two models are revealed to be significantly different, which may be attributed to the significant difference in mol. structures in two datasets and different reactivities of uncharged and charged states toward O3. Addnl., the overall kO3 for compounds at certain pH can be estimated by combining the two single QSAR models. These models and methods can become the effective tools for predicting the conversion rate of pollutants by O3 in the urban sewage and drinking water treatment.

Science of the Total Environment published new progress about Drinking water pollution. 16766-30-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H7ClO2, Reference of 16766-30-6.

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

Kawatsu, Takahiro; Aoyagi, Keiya; Nakajima, Yumiko; Choi, Jun-Chul; Sato, Kazuhiko; Matsumoto, Kazuhiro published the artcile< Catalytic Decarboxylation of Silyl Alkynoates to Alkynylsilanes>, Application In Synthesis of 3240-10-6, the main research area is copper catalyzed decarboxylation silyl alkynoate.

Herein, the authors describe a decarboxylative approach to the preparation of alkynylsilanes. Treatment of a silyl alkynoate in DMF at 80° in the presence of catalytic amounts of CuCl and PCy3 produced the corresponding alkynylsilane in excellent yield. The Cu-catalyzed decarboxylation proceeded smoothly with low catalyst loadings (0.5 mol % of CuCl and 1.0 mol % of PCy3) under mild reaction conditions and is easily scalable to gram quantities.

Organometallics published new progress about Alkynes Role: RCT (Reactant), RACT (Reactant or Reagent) (silyl alkynoates). 3240-10-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C9H5ClO2, Application In Synthesis of 3240-10-6.

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