933-00-6 (对甲基苯硫氯,Hypochlorothioous acid,4-methylphenyl ester)

快速询单

结构式：

对甲基苯硫氯MOL文件

CAS号：

933-00-6

中文名称：

对甲基苯硫氯

英文名称：

Hypochlorothioous acid,4-methylphenyl ester

分子式：

C₇H₇ClS

分子量：

158.648479700089

对甲基苯硫氯(933-00-6)名称与标识符

名称

中文别名：

4-甲基苯硫氯;对甲基苯硫氯;

英文别名：

Hypochlorothioous acid,4-methylphenyl ester;4-Methylphenylsulfenyl chloride;4-Toluenesulfenyl chloride;4-Tolylsulfenyl chloride;p-Methylbenzenesulfenyl chloride;p-Methylphenylsulfenyl chloride;p-Tolylsulfenyl chloride;4-Methylbenzenesulfenyl chloride (ACI);p-Toluenesulfenyl chloride (6CI, 7CI, 8CI);[(4-Methylphenyl)sulfanyl]chlorane;p-Tolyl hypochlorothioate;RSGBMGFQNOGIPC-UHFFFAOYSA-N;p-toluenesulfenyl chloride;p-tolyl hypochlorothioite;P-TOLUENESULFENYLCHLORIDE;4-methylbenzenesulfenyl chloride;Benzenesulfenyl chloride, 4-methyl-;p-tolylhypochlorothioite;SCHEMBL2022538;(4-methylphenyl) thiohypochlorite;thiohypochlorous acid p-tolyl ester;933-00-6;

标识符

InChIKey：

RSGBMGFQNOGIPC-UHFFFAOYSA-N

Inchi：

1S/C7H7ClS/c1-6-2-4-7(9-8)5-3-6/h2-5H,1H3

SMILES：

ClSC1C=CC(C)=CC=1

对甲基苯硫氯(933-00-6)物化性质

实验特性

沸点 : 281 ºC
闪点 : 120 ºC
密度 : 1.20

计算特性

精确分子量 : 157.9956991g/mol
氢键供体数量 : 0
氢键受体数量 : 1
可旋转化学键数量 : 0
同位素质量 : 157.9956991g/mol
重原子数量 : 9
复杂度 : 85
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 3.2
互变异构体数量 : 无
表面电荷 : 0
拓扑分子极性表面积 : 25.3Å²

对甲基苯硫氯(933-00-6)推荐厂家更多厂家(1)

公司名称	手机号/电话	联系人	QQ	微信	询单
金锦乐（湖南）化学有限公司		金锦乐	1226360695		询单

对甲基苯硫氯(933-00-6)合成路线

合成路线：1 步

106-45-6

_99%

933-00-6

反应条件：

1.1 Reagents: Chlorine Solvents: Carbon tetrachloride

参考文献：

The asymmetric desymmetrisation of meso compounds

Andrews, Benjamin, 2000, , ,

合成路线：1 步

106-45-6

_98%

933-00-6

反应条件：

1.1 Reagents: Triethylamine , Sulfuryl chloride Solvents: Pentane

参考文献：

A New Approach to the Synthesis of β-Hydroxy-α-amino Acids Using (Arylthio)nitrooxiranes

Jackson, Richard F. W.; Palmer, Nicholas J.; Wythes, Martin J.; Clegg, William; Elsegood, Mark R. J., Journal of Organic Chemistry, 1995, 60(20), 6431-40

合成路线：1 步

103-19-5

_90%

933-00-6

反应条件：

1.1 Reagents: Iodobenzene dichloride Solvents: Dichloromethane ; 20 min, rt

参考文献：

Method for synthesizing aryl sulfenyl/selenenyl chloride

, China, , ,

合成路线：1 步

106-45-6

_90%

933-00-6

反应条件：

1.1 Reagents: Chlorosuccinimide Solvents: Dichloromethane ; 15 min, 25 °C

参考文献：

Palladium-Catalyzed Regio- and Stereoselective Chlorothiolation of Terminal Alkynes with Sulfenyl Chlorides

Iwasaki, Masayuki; Fujii, Tomoya; Yamamoto, Arisa; Nakajima, Kiyohiko; Nishihara, Yasushi, Chemistry - An Asian Journal, 2014, 9(1), 58-62

合成路线：1 步

106-45-6

_88%

933-00-6

反应条件：

1.1 Reagents: Chlorine Solvents: Carbon tetrachloride

参考文献：

p-Toluenesulfenyl chloride

Kurzer, Frederick; Powell, J. Roy, Organic Syntheses, 1955, 35, 99-101

合成路线：1 步

106-45-6

_87%

933-00-6

反应条件：

1.1 Reagents: Sulfuryl chloride Solvents: Hexane ; 5 min, 0 °C; 1 h, rt

参考文献：

Synthesis of Disaccharide Nucleosides by the O-Glycosylation of Natural Nucleosides with Thioglycoside Donors

Aoki, Shin; Fukumoto, Taketo; Itoh, Taiki; Kurihara, Masayuki; Saito, Shigeto; et al, Chemistry - An Asian Journal, 2015, 10(3), 740-751

合成路线：1 步

106-45-6

_85%

933-00-6

反应条件：

1.1 Reagents: Chlorine

参考文献：

Cyclofunctionalization of 2-allylphenols with sulfur chlorides. III. 2-(Arylthiomethyl)-2,3-dihydrofuro[3,2-h]quinolines from 7-allyl- and 7-methallyl-8-hydroxyquinoline, respectively, and arylsulfenyl chlorides

Meinhold, H.; Muehlstaedt, M.; Muslih, R. M., Journal fuer Praktische Chemie (Leipzig), 1989, 331(1), 136-40

合成路线：1 步

106-45-6

_74%

933-00-6

反应条件：

1.1 Reagents: Chlorine

参考文献：

Studies of aromatic disulfides. VII. Synthesis of asymmetric aromatic and aliphatic-aromatic disulfides

Stepanov, B. I.; Rodionov, V. Ya.; Chibisova, T. A.; Yagodina, L. A.; Stankevich, A. D., Zhurnal Organicheskoi Khimii, 1977, 13(2), 370-4

合成路线：1 步

106-45-6

_70%

933-00-6

反应条件：

1.1 Reagents: Thionyl chloride Solvents: Hexane ; 10 min, 0 °C; 1 h, 0 °C → rt; > 1 h, rt

参考文献：

Iterative one-pot synthesis of oligosaccharides

Huang, Xuefei; Huang, Lijun; Wang, Haisheng; Ye, Xin-Shan, Angewandte Chemie, 2004, 43(39), 5221-5224

合成路线：1 步

106-45-6

_67%

933-00-6

反应条件：

1.1 Reagents: Chlorine

参考文献：

Sulfur substituted organotin compounds. IX. Formation of [(3-chloro-4-o-nitrophenylthio)butyl]triphenyltin, Ph3SnCH2CH2CHClCH2SC6H4NO2-o, from reaction of 4-butenyltriphenyltin and o-nitrobenzenesulfenyl chloride

Wigzell, J. McM.; Wardell, J. L., Journal of Organometallic Chemistry, 1982, 235(1), 37-41

合成路线：1 步

106-45-6

_40%

933-00-6

反应条件：

1.1 Reagents: Sulfuryl chloride Solvents: Pentane ; -40 °C; 30 min, -40 °C; -40 °C → rt; 2 h, rt

参考文献：

Thiol and H2S-Mediated NO Generation from Nitrate at Copper(II)

Ghosh, Pokhraj; Stauffer, Molly; Ahmed, Estak Md ; Bertke, Jeffery A. ; Staples, Richard J. ; et al, Journal of the American Chemical Society, 2023, 145(22), 12007-12012

合成路线：1 步

106-45-6

_40%

933-00-6

反应条件：

1.1 Reagents: Sulfuryl chloride Solvents: Pentane ; -40 °C; 30 min, -40 °C; -40 °C → rt; 2 h, rt

参考文献：

Thiol and H2S mediated NO generation from nitrate at copper(II)

Ghosh, Pokhraj; Stauffer, Molly; Ahmed, Estak Md; Bertke, Jeffery A.; Staples, Richard J.; et al, ChemRxiv, 2022, 1, 1-6

合成路线：1 步

1863948-47-3

933-00-6

4732-66-5

反应条件：

1.1 Reagents: Potassium hydroxide , Oxygen Solvents: 1,4-Dioxane ; 5 h, rt
1.2 Reagents: Water Solvents: Ethyl acetate ; rt

参考文献：

Generation of Oxazolidine-2,4-diones Bearing Sulfur-Substituted Quaternary Carbon Atoms by Oxothiolation/Cyclization of Ynamides

Huang, Hai; Fan, Junzhen; He, Guangke; Yang, Zhimin; Jin, Xiaodong; et al, Chemistry - A European Journal, 2016, 22(7), 2532-2538

合成路线：1 步

106-45-6

933-00-6

反应条件：

1.1 Reagents: Chlorosuccinimide Solvents: Dichloromethane ; 15 min, 0 °C

参考文献：

Radical-polar crossover allenylation of alkenes: Divergent synthesis of homoallenic alcohols and amides

Wei, Yunlong; Wu, Xinxin; Chen, Yasu; Zhu, Chen, Chem Catalysis, 2023, 3(4),

合成路线：1 步

106-45-6

933-00-6

反应条件：

1.1 Reagents: Chlorosuccinimide Solvents: Dichloromethane ; 2 h, rt

参考文献：

One-Pot Tandem Oxidative Bromination and Amination of Sulfenamide for the Synthesis of Sulfinamidines

Yang, Gao-feng; Huang, He-sen; Nie, Xiao-kang; Zhang, Shi-qi; Cui, Xin; et al, Journal of Organic Chemistry, 2023, 88(7), 4581-4591

合成路线：1 步

106-45-6

933-00-6

反应条件：

1.1 Reagents: Chlorosuccinimide Solvents: Dichloromethane ; 0 °C; 12 h, rt

参考文献：

Synthesis of Chiral Sulfonimidoyl Chloride via Desymmetrizing Enantioselective Hydrolysis

Yang, Gao-feng; Yuan, Yi; Tian, Yin ; Zhang, Shi-qi; Cui, Xin; et al, Journal of the American Chemical Society, 2023, 145(9), 5439-5446

合成路线：1 步

106-45-6

933-00-6

反应条件：

1.1 Reagents: Chlorosuccinimide Solvents: Dichloromethane ; 30 min, 0 °C

参考文献：

Sulfane Decreases the Nucleophilic Reactivity of Zinc Thiolates: Implications for Biological Reactive Sulfur Species

Seo, W. T. Michael ; Ballesteros, Moises; Tsui, Emily Y., Journal of the American Chemical Society, 2022, 144(45), 20630-20640

合成路线：1 步

106-45-6

933-00-6

反应条件：

1.1 Reagents: Sulfuryl chloride Solvents: Dichloromethane ; 0 °C; 1 h, 0 °C

参考文献：

Allicin-Inspired Heterocyclic Disulfides as Novel Antimicrobial Agents

Wang, Jing-Ru; Hu, Yong-Mei; Zhou, Han; Li, An-Ping; Zhang, Shao-Yong; et al, Journal of Agricultural and Food Chemistry, 2022, 70(37), 11782-11791

合成路线：1 步

106-45-6

933-00-6

反应条件：

1.1 Reagents: Chlorosuccinimide Solvents: Dichloromethane ; 0 °C; 15 min, 25 °C

参考文献：

Nickel-Catalyzed Carbonylative Synthesis of α,β-Unsaturated Thioesters from Vinyl Triflates and Arylsulfonyl Chlorides

Huo, Yong-Wang; Qi, Xinxin; Wu, Xiao-Feng, Organic Letters, 2022, 24(22), 4009-4013

合成路线：1 步

106-45-6

933-00-6

反应条件：

1.1 Reagents: Sulfuryl chloride Catalysts: Triethylamine Solvents: Carbon tetrachloride ; rt → 0 °C; 30 min, 0 °C

参考文献：

Directed, nickel-catalyzed 1,2-alkylsulfenylation of alkenyl carbonyl compounds

Li, Zi-Qi; He, Wen-Ji; Ni, Hui-Qi; Engle, Keary M., Chemical Science, 2022, 13(22), 6567-6572

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933-00-6 (对甲基苯硫氯,Hypochlorothioous acid,4-methylphenyl ester)

对甲基苯硫氯(933-00-6)名称与标识符

名称

标识符

对甲基苯硫氯(933-00-6)物化性质

实验特性

计算特性

对甲基苯硫氯(933-00-6)推荐厂家 更多厂家(1)

对甲基苯硫氯(933-00-6)合成路线

对甲基苯硫氯(933-00-6)相关文献

目录

对甲基苯硫氯(933-00-6)推荐厂家更多厂家(1)