Month: December 2022

Zhang, Xiao-Long published the artcileQSTR studies on acute toxicity and mutagenicity of halogenated benzenes, Computed Properties of 350-30-1, the publication is Asian Journal of Chemistry (2014), 26(9), 2707-2710, database is CAplus.

In this paper, a quant. structure toxicity relationship study was performed for the prediction of the acute toxicity and mutagenicity of halogenated benzenes. The mol. descriptors of halogenated benzenes have been calculated with semi-empirical AM1 and E-dragon methods and both quant. structure toxicity relationship models for mice via the oral LD₅₀ model and the S. typhimurium (TA98 + S9) mutagenic model of halogenated benzenes were developed using multiple linear regression (MLR) anal. The validation results obtained from the test set indicate that the proposed models are robust and satisfactory.

Asian Journal of Chemistry published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C9H8BNO2, Computed Properties of 350-30-1.

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

Liu, Yang-hua published the artcileDevelopment of QSAR model for predicting mutagenicity of aromatic compounds, Application of 3-Chloro-4-fluoronitrobenzene, the publication is Chinese Journal of Structural Chemistry (2015), 34(3), 324-334, database is CAplus.

Quant. structure-activity relationship (QSAR) model was developed for predicting the mutagenicity of aromatic compounds The log revertants data of S. typhimurium TA98 strain from Ames test have been collected. 225 Aromatic compounds were randomly divided into the training set with 186 mols. and test set with 39 mols. Multiple linear regression (MLR) anal. was used to select six descriptors from thousands of descriptors calculated by semi-empirical AM1 and E-dragon methods. The final QSAR model with six descriptors was internal and external validated. In addition, to validate the utility of our QSAR model for the chem. evaluation, three aromatic compounds were taken to test the predictive ability and reliability of the model exptl. The compounds selected for testing were not based on the predictions, thus spanning the range of predicted probabilities. The subsequently generated results of the Ames test were in good correspondence with the predictions and confirmed this approach as a useful means of predicting likely mutagenic risk of aromatic compounds

Chinese Journal of Structural Chemistry published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C6H3ClFNO2, Application of 3-Chloro-4-fluoronitrobenzene.

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

Zhou, Yan published the artcileRecyclable palladium-catalyzed cyclocarbonylation between benzyl chlorides and salicylic aldehydes towards coumarins, Quality Control of 939-99-1, the publication is Molecular Catalysis (2022), 112404, database is CAplus.

A novel and practical route to coumarin derivatives was developed via the heterogeneous Pd-catalyzed carbonylative reaction and subsequent intramol. condensation process starting from com. easily available benzyl chlorides and salicylic aldehydes. Reactions were performed in the existence of 2 mol% of an SBA-15-immobilized bidentate phosphine palladium complex [SBA-15-P,P-PdCl2] in dioxane at 110°C with Et₃N as base under 10 bar of CO to afford a wide range of coumarin derivatives mostly with good to high yields. Importantly, this new heterogenized palladium complex was easy to recover via filtration of the reaction mixture, and was recyclable up to 8 times without apparent drop in its catalytic performance.

Molecular Catalysis published new progress about 939-99-1. 939-99-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzyl chloride,Benzene, name is 1-(Chloromethyl)-4-(trifluoromethyl)benzene, and the molecular formula is C12H17NS2, Quality Control of 939-99-1.

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

Chen, Zhifang published the artcileMerging Imidazolidines with a Trifluoromethylated Tetrasubstituted Carbon through Tungsten Catalyzed 1,3-Dipolar Cycloaddition, HPLC of Formula: 5860-95-7, the publication is Journal of Organic Chemistry (2021), 86(11), 7714-7724, database is CAplus and MEDLINE.

An unprecedented 1,3-dipole cycloaddition between acyclic CF₃-ketimines and N-benzyl azomethine ylide has been allowed by tungsten catalysis, furnishing a range of novel imidazolidines bearing a trifluoromethylated tetrasubstituted carbon center. This reaction appears as one of rare examples that challenging acyclic CF₃-ketimines have been engaged in 1,3-cycloaddition reactions. The capability for gram-scale synthesis and variant derivatizations of cycloaddition adducts illustrates the synthetic potential of this approach. This protocol provides a facile access to a rapidly enlarging pool of motifs with a trifluoromethylated fully substituted carbon.

Journal of Organic Chemistry published new progress about 5860-95-7. 5860-95-7 belongs to chlorides-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Chloride,Benzene,Ketone, name is 1-(2-Chlorophenyl)-2,2,2-trifluoroethanone, and the molecular formula is C8H4ClF3O, HPLC of Formula: 5860-95-7.

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

Gong, Kai published the artcileFrom symmetrical tetrasulfides to trisulfide dioxides via photocatalysis, Recommanded Product: ((1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl chloride, the publication is Green Chemistry (2021), 23(24), 9865-9869, database is CAplus.

A straightforward strategy involving photocatalysis has been established for accessing trisulfide dioxides R¹SSSO₂R² (R¹ = Et, t-Bu, 1-adamantyl, 2-MeC₆H₄, etc.; R² = cyclopropyl, Ph, 4-FC₆H₄, 2-thienyl, etc.) from readily achieved sym. tetrasulfides R¹S₄R¹ and sulfinic acids R²SO₂H. Stern-Volmer anal. and radical quenching experiments demonstrated the occurrence of a single electron transfer between the photocatalyst and sulfinic acid. Bioactive mols. such as the antihypertensive drug captopril, allicin derivatives, amino acids and terpenes were efficiently and reversibly linked through sulfur-sulfur covalent bonds. Furthermore, flow-setup syntheses of trisulfide dioxides were successfully achieved on the gram scale, indicating the great potential of the developed protocol for practical industrial applications.

Green Chemistry published new progress about 21286-54-4. 21286-54-4 belongs to chlorides-buliding-blocks, auxiliary class Chiral,Chloride,Sulfonyl chlorides,Aliphatic cyclic hydrocarbon,Ketone, name is ((1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl chloride, and the molecular formula is C10H15ClO3S, Recommanded Product: ((1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl chloride.

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

Li, Lixin published the artcilePalladium-Catalyzed Dehydrogenative Difunctionalization of Aminoalkenes with Aminals as Oxidants and Electrophiles, SDS of cas: 21286-54-4, the publication is Organic Letters (2017), 19(17), 4600-4603, database is CAplus and MEDLINE.

A novel palladium-catalyzed aminomethylamination of aminoalkenes with an aminal, functioning not only as an aminomethylation reagent but also as an oxidant, was developed. This direct and operationally simple protocol provides a fundamentally novel and unique approach toward the synthesis of 2-(2-aminoethyl)indoles, e.g., I, and 2-(2-aminoethyl)pyrrolidines, e.g., II (X-rays single crystal structures for both compounds shown), which are important building blocks in synthetic organic chem. The unity of this method was highlighted by the rapid synthesis of Alosetron, a drug used for the treatment of irritable bowel syndrome.

Organic Letters published new progress about 21286-54-4. 21286-54-4 belongs to chlorides-buliding-blocks, auxiliary class Chiral,Chloride,Sulfonyl chlorides,Aliphatic cyclic hydrocarbon,Ketone, name is ((1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl chloride, and the molecular formula is C10H15ClO3S, SDS of cas: 21286-54-4.

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

Liu, Renxiang published the artcileModified and Scalable Synthesis of N-Tosyl-4-Chlorobenzenesulfonimidoyl Fluoride (SulfoxFluor): Direct Imidation of Sulfinyl Chlorides with Chloramine-T Trihydrate, Category: chlorides-buliding-blocks, the publication is Organic Process Research & Development (2022), 26(2), 380-386, database is CAplus.

A general and practical method for the preparation of N-Tosyl-4-chlorobenzenesulfonimidoyl fluoride (SulfoxFluor) and its adaptation to a large scale was disclosed. Starting from readily available 4-chlorobenzenesulfonyl chloride, chloramine-T trihydrate and potassium fluoride, SulfoxFluor was prepared on a hectogram scale in 63% overall yield with simple purification techniques. The use of chloramine-T trihydrate (instead of anhydrous chloramine-T) was a significant improvement over previous work, which streamlined the process and avoided the risk of explosion during drying or heating. This research not only established a reliable method for the scale-up synthesis of SulfoxFluor but also provided an insight into the imidation of sulfinyl chlorides with chloramine-T in the presence of water.

Organic Process Research & Development published new progress about 7080-50-4. 7080-50-4 belongs to chlorides-buliding-blocks, auxiliary class Halogenation Reagent,Inhibitor, name is Sodium chloro(tosyl)amide trihydrate, and the molecular formula is C7H13ClNNaO5S, Category: chlorides-buliding-blocks.

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

Zheng, Haiyan published the artcileOptic and proton dual-control of fluorescence of Rhodamine based on photochromic diarylethene: mimicking the performance of an integrated logic gate, SDS of cas: 219537-97-0, the publication is Tetrahedron Letters (2009), 50(14), 1588-1592, database is CAplus.

A proton and optic dual-responsive fluorescence switch dyad which contains Rhodamine and photochromic diarylethene has been designed and an integrated logic circuit at the mol. level has been proposed.

Tetrahedron Letters published new progress about 219537-97-0. 219537-97-0 belongs to chlorides-buliding-blocks, auxiliary class Fused/Partially Saturated Cycles,Cyclopentenes, name is 5-Chloro-3-[2-(5-chloro-2-methylthien-3-yl)cyclopent-1-en-1-yl]-2-methylthiophene, and the molecular formula is C9H9N3, SDS of cas: 219537-97-0.

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

Gu, Huifen published the artcileSeparation and identification of mustard gas compounds in diesel fuel, Category: chlorides-buliding-blocks, the publication is Fenxi Ceshi Xuebao (1995), 14(3), 6-9, database is CAplus.

Separation and identification of mustard and mustard disulfide in diesel fuel and aromatic compound mixtures are presented. Samples were prepurified by column chromatog. using hexane as eluate, and interfering matrixes were removed. Pure compounds were obtained with thin-layer chromatog. by developing the TLC plate twice in hexane and identified with gas chromatog.-mass spectrometry and NMR spectrometry.

Fenxi Ceshi Xuebao published new progress about 1002-41-1. 1002-41-1 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is 1,2-Bis(2-chloroethyl)disulfane, and the molecular formula is C4H8Cl2S2, Category: chlorides-buliding-blocks.

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

Cao, Xinhua published the artcileFluorescence and Morphology Modulation in a Photochromic Diarylethene Self-Assembly System, COA of Formula: C15H14Cl2S2, the publication is Langmuir (2011), 27(8), 5090-5097, database is CAplus and MEDLINE.

Switchable supramol. self-assemblies on the basis of interaction between melamine group containing photochromic diarylethene unit (DTE) and naphthalimide derivate (1) were designed and fabricated. 1 can gelate several aprotic solvents with different morphologies. The gel turned into partial gel in Et acetate with the addition of DTE as a guest mol. Both the absorption and fluorescence spectra of the assembly can be reversibly switched by alternating UV/visible light irradiation Meanwhile, the morphol. of the coassembly of 1₂·DTE changed to film from original pieces of gel 1 in Et acetate. When 1₂·DTE was irradiated by UV light, the film morphol. was converted into aggregated flakes. Moreover, the surface wettability of the complex can also be switched by light irradiation The photochromic diarylethene unit is able to modulate the fluorescence and morphol. of the assembled system only by virtue of light irradiation Therefore, these results provide further insights into fluorescence and morphol. controlling, especially application in upscale smart responsive materials.

Langmuir published new progress about 219537-97-0. 219537-97-0 belongs to chlorides-buliding-blocks, auxiliary class Fused/Partially Saturated Cycles,Cyclopentenes, name is 5-Chloro-3-[2-(5-chloro-2-methylthien-3-yl)cyclopent-1-en-1-yl]-2-methylthiophene, and the molecular formula is C15H14Cl2S2, COA of Formula: C15H14Cl2S2.

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