CAS: 910-31-6; (3S,8S,9S,10R,13R,14S,17R)-3-Chloro-10,13-Dimethyl-17-((R)-6-Methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthrene

• 英文名称(3S,8S,9S,10R,13R,14S,17R)-3-Chloro-10,13-Dimethyl-17-((R)-6-Methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthrene
• 中文名称氯化胆固醇
• IUPAC名称(3S,8S,9S,10R,13R,14S,17R)-3-chloro-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
• 其它别名3-Beta-Chlorocholest-5-Ene; Cholesteryl Chloride, ; 3.Beta.-Chlorocholest-5-Ene; Cholest-5-Ene, 3Beta-Chloro; Cholest-5-Ene, 3Beta-Chloro-; (+)-Prostaglandin A(Sup 2); Cholest-5-Ene, 3-Chloro-, (3Beta)-
• CAS编号910-31-6
• MFCD编号:MFCD00003632
• EINECS号:213-004-4
• FDA UNII编号:39EHZ05V39
• 分子式:C27H45Cl
• 分子量:405.11
• 产品CID: 1944792
• 产品分类生物化工 → 提取物

• 相似结构搜索
• InChIKey: OTVRYZXVVMZHHW-DPAQBDIFSA-N
• OTVRYZXVVMZHHW-DPAQBDIFSA-N…
• 计算化学: 氢键受体数0.0氢键供体数0.0可旋转键数5.0

物理性质

• 熔点94-96  °C(文献)
• 沸点478.6±14.0 °C at 760 mmHg
• 闪点249.6±5.9 °C
• 密度1.0±0.1 g/cm3
• PH:-30 º (c=1, chloroform)
• PSA:0.0
• LogP:11.48
• 旋光度-30º(C=1,CHLOROFORM)
• 折射率1.520
• 蒸汽压0.0±1.2 mmHg at 25°C
• 敏感性常温常压下稳定，避免氧化物接触
• 外观形态粉末
• 储存条件存储低于 +30°C.
• 产品应用该化合物用于某些发色,化妆品和其他一些化妆品.
• 性质描述熔点95-97°C

MSDS等安全信息

• 警示词Warning
• 危险描述H302-H315-H319-H335-
• 防范说明P261-P305+P351+P338-
• UN编号NONH for all modes of transport
• 安全声明22-24/25
• 危险类别码May cause irritation; [Acros Organics MSDS]
• WGK Germany3

上下游产品

合成工艺路线路线简述

• 合成目标产物 Cholesteryl Chloride 主要起始原料 Cholesterol And Benzoyl Chloride
• 57-88-5 = 910-31-6
  反应条件:1.1 Reagents: Thionyl Chloride
  标题:A Multigram Preparative Synthesis Of Cholest-4-En-3α,6β- And -3α,6α-Diols
  作者:Zhao,Kejun; Wang,Yongfeng; Billington,David C.
  参考文献:Synthetic Communications 日期:2001 卷标:31(17) 页码:2619-2624]
  
  57-88-5 = 910-31-6
  反应条件:1.1 Reagents: Alumina,Thionyl Chloride
  标题:Neighboring Carbon And Hydrogen. Xxiii. Homoallylic Systems. 3,5-Cyclocholestan-6β-Yl Chloride
  作者:Kosower,Edward M.; Winstein,S.
  参考文献:Journal Of The American Chemical Society 日期:1956 卷标:78 页码:4354-8]
  
  57-88-5 = 910-31-6
  反应条件:1.1 Reagents: Triethylamine,Methanesulfonyl Chloride Solvents: Dichloromethane; 0 °C; 30 Min,0 °C; 0 °C -> 23 °C; 12 H,22 +/- 1 °C1.2 Reagents: Chlorotrimethylsilane Catalysts: Titanium Tetrachloride Solvents: Dichloromethane; -78 °C; -78 °C -> 23 °C; 30 Min,22 +/- 1 °C1.3 Reagents: Sodium Bicarbonate Solvents: Dichloromethane,Water; 22 +/- 1 °C
  标题:Ti-Catalyzed Radical Alkylation Of Secondary And Tertiary Alkyl Chlorides Using Michael Acceptors
  作者:Wu,Xiangyu; Hao,Wei; Ye,Ke-Yin; Jiang,Binyang; Pombar,Gisselle; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2018 卷标:140(44) 页码:14836-14843]
  
  57-88-5 = 910-31-6
  反应条件:1.1 Reagents: Thionyl Chloride
  标题:Stereochemistry Of Some Salts Derived From 3,5-Cyclocholestan-6-One. Attempted Syntheses Of Some 3,5-Cyclosteroidal Systems
  作者:Billig,Ernst
  参考文献:1962]
  
  604-35-3 = 910-31-6
  反应条件:1.1 Reagents: Aluminum Chloride Solvents: Diethyl Ether
  标题:A New Preparation Of Steroid Halides
  作者:Broome,J.; Brown,B. R.; Summers,G. H. R.
  参考文献:Journal Of The Chemical Society 日期:1957 卷标:2071 页码:2071-3]
  
  57-88-5 = 910-31-6
  反应条件:1.1 Reagents: 2,2-Dichloro-1,3-Dicyclohexyl-4,5-Imidazolidinedione Solvents: Dichloromethane; 2 H,Rt
  标题:Dihaloimidazolidinediones As Versatile Halodehydrating Agents
  作者:Moerdyk,Jonathan P.; Bielawski,Christopher W.
  参考文献:Chemistry - A European Journal 日期:2014 卷标:20(42) 页码:13487-13490

专利信息

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管