CAS: 963-75-7; Androst-2-En-17-One

• 英文名称Androst-2-En-17-One
• 中文名称5α-雄甾-2-烯-17-酮
• IUPAC名称(5S,8R,9S,10S,13S,14S)-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
• 其它别名5alpha-Androst-2-en-17-one; (5S,8R,9S,10S,13S,14S)-10,13-Dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydr°Cyclopenta[a]phenanthren-17-one
• CAS编号963-75-7
• MFCD编号:MFCD00199476
• EINECS号:213-517-3
• FDA UNII编号:AHC8P4E4ZL
• 分子式:C19H28O
• 分子量:272.43
• 产品CID: 2017198
• 产品分类分析化学 → 标准品 → 药典标准品和杂质标准品

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: ISJVDMWNISUFRJ-HKQXQEGQSA-N
• InChI=1S/C19H28O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h3-4,13-16H,5-12H2,1-2H3/t13-,14+,15+,16+,18+,19+/m1/s1…
• 计算化学: 氢键受体数1.0氢键供体数0.0可旋转键数0.0

物理性质

• 熔点140-145 °C
• 沸点371.6±42.0 °C at 760 mmHg
• 闪点157.7±22.8 °C
• 密度1.0±0.1 g/cm3
• PSA:17.07
• LogP:5.3
• 折射率1.530
• 蒸汽压0.0±0.8 mmHg at 25°C
• 溶解性DMF: 15 mg/mL,DMSO: Insol,Ethanol: 10 mg/mL,Pbs (Ph 7.2): Insol
• 外观形态固体
• 储存条件冰箱

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别急性毒性 类别4(吸入)
  急性毒性 类别4(经皮)
  急性毒性 类别4(经口)
  致癌性 类别2
  生殖毒性 类别2
• 警示词Warning(警告)
• 危险描述H332 |吸入有害.
  H312 |皮肤接触有害.
  H302 |吞咽有害.
  H351 |怀疑致癌.
  H361 |怀疑对生育能力或胎儿造成损害.
• 防范说明P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
• 安全声明H303+H313+H333
• WGK Germany-

欧盟法规

上下游产品

合成工艺路线路线简述

• 84416-35-3 = 963-75-7
  反应条件:1.1 Reagents: Triethylamine,4-Undecylbenzenesulfonyl Chloride Catalysts: Dicyclohexylcarbodiimide Solvents: Toluene; 1.5 - 2 H,0 - 5 °C; 9 H,34 - 35 °C1.2 Reagents: Ethanol; 30 Min,40 °C; 5 H,40 °C
  标题:Preparation Method Of 5α-Androst-2-En-17One Using P-Dodecylbenzenesulfonyl Chloride
  参考文献:China]
  
  481-29-8 = 963-75-7
  反应条件:1.1 Catalysts: P-Toluenesulfonic Acid (On Silica Gel),Silica Solvents: Benzene; 8 H,Reflux
  标题:Method For Synthesis Of 2α,3α-Epoxy-16α-Bromo-5α-Androstan-17-One
  参考文献:China]
  
  351419-83-5 = 963-75-7
  反应条件:1.1 Catalysts: 4-(Dimethylamino)Pyridine Solvents: Dimethylformamide; 60 Min,70 °C
  标题:Synthesis Of 5A-Androst-2-En-17-One
  作者:Zuo,Qianjin; Wu,Laixi; Shen,Liqun
  参考文献:Gongye Cuihua 日期:2010 卷标:18(12) 页码:55-57]
  
  481-29-8 = 963-75-7
  反应条件:1.1 Catalysts: P-Toluenesulfonic Acid,Ytterbium Triflate Solvents: Toluene; 16 H,110 °C
  标题:Preparation Method Of 5α-Androst-2-En-17-One Using Epiandrosterone As Raw Material
  参考文献:China]
  
  10429-07-9 = 963-75-7
  反应条件:1.1 Catalysts: 2-Methylpyridine; Rt -> 128 °C; > 128 °C
  标题:Mass Production Method Of 5α-Androstan-2-En-17-One
  参考文献:China]
  
  481-29-8 = 963-75-7
  反应条件:1.1 Catalysts: P-Toluenesulfonic Acid,Silica Solvents: Toluene; 6 H,Reflux
  标题:Synthesis Of 5α-Androst-2-En-17-One
  作者:Fang,Zheng; Zhang,Zhi-Min; Chen,Guo-Guang; Wei,Ping
  参考文献:Huaxue Shijie 日期:2007 卷标:48(9) 页码:546-548]
  
  19646-53-8 = 963-75-7
  反应条件:1.1 Reagents: Lithium Bromide Solvents: Dimethylformamide; 2 H,125 °C1.2 Reagents: Sodium Bicarbonate Solvents: Water; Basified,Cooled
  标题:Neurosteroid Analogues. 18. Structure-Activity Studies Of Ent-Steroid Potentiators Of γ-Aminobutyric Acid Type A Receptors And Comparison Of Their Activities With Those Of Alphaxalone And Allopregnanolone
  作者:Qian,Mingxing; Krishnan,Kathiresan; Kudova,Eva; Li,Ping; Manion,Brad D.; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2014 卷标:57(1) 页码:171-190]
  
  481-29-8 = 963-75-7
  反应条件:1.1 Reagents: Methanesulfonic Acid,Phosphorus Pentoxide Solvents: Dichloromethane; 2 H,Rt1.2 17 H,Reflux
  标题:Method For Preparation Of Rocuronium Bromide Intermediate 5α-Androst-2-Ene-17-One By Dehydration Of Epiandrosterone Under Catalysis Of Eaton'S Reagent
  参考文献:China]
  
  53-41-8 = 963-75-7
  反应条件:1.1 Catalysts: P-Toluenesulfonic Acid Solvents: Benzene; Rt -> Reflux; 8 H,Reflux
  标题:Study On Synthesis Of Rocuronium Bromide
  作者:Gu,Fei; Zhang,Xue-Mei; Guo,Dong-Dong
  参考文献:Liaoning Huagong 日期:2011 卷标:40(11) 页码:1138-1141

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2912110000-甲醛
  2912120000-乙醛
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• ➥ 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