CAS: 974-23-2; 16,17α-Epoxypregnenolone

• 英文名称16,17α-Epoxypregnenolone
• 中文名称16,17-alpha环氧孕烯醇酮
• IUPAC名称1-((4S,6aR,6bS,8aS,8bS,9aR,10aS,10bR)-4-hydroxy-6a,8a-dimethyl-1,3,4,5,6,6a,6b,7,8,8a,9a,10,10a,10b-tetradecahydro-8bH-naphtho[2',1':4,5]indeno[1,2-b]oxiren-8b-yl)ethan-1-one
• 其它别名16,17-Alpha 环氧孕烯醇酮; Nsc 122401; Epoxypregnenolone
• CAS编号974-23-2
• MFCD编号:MFCD00135147
• EINECS号:213-548-2
• 分子式:C21H30O3
• 分子量:330.47
• 产品CID: 2496872
• 产品分类有机原料→分子砌块→手性化合物→手性砌块

• 相似结构搜索
• InChIKey: UQVIXFCYKBWZPJ-UHFFFAOYNA-N
• InChI=1S/C21H30O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,23H,5-11H2,1-3H3/t14-,15+,16-,17-,…
• 计算化学: 氢键受体数3.0氢键供体数1可旋转键数1

相似化合物

物理性质

• 熔点185-188 °C
• 沸点462.3±45.0 °C at 760 mmHg
• 闪点159.4±22.2 °C
• 密度1.2±0.1 g/cm3
• pKa:14.99±0.70(预测)
• PSA:49.83
• LogP:3.6466
• 折射率1.577
• 蒸汽压0.0±2.6 mmHg at 25°C
• 溶解性Chloroform (Slightly), Methanol (Slightly)
• 外观形态白色至类白色固体
• 储存条件−20°C
• 产品应用可的松醋酸酯,氢化可的松,己酸孕酮等的中间体.
• 性质描述产品为结晶化合物.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别严重眼刺激 类别2
• 警示词Warning(警告)
• 危险描述H319 |造成严重眼刺激.
• 防范说明P264-P280-P305+P351+P338
• UN编号NONH for all modes of transport
• 安全声明H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 合成目标产物 16,17-Epoxypregnenolone 主要起始原料 16-Dehydropregnenolone Acetate
• 979-02-2 = 974-23-2
  反应条件:1.1 Reagents: Carbamide Peroxide,Sodium Hydroxide Solvents: Methanol,Water; Rt -> 5 °C; 5 °C; 5 °C; 72 H,5 °C
  标题:An Improved Process For The Preparation Of Guggulsterones,The Pharmacologically Active Constituents Of Gugulipid
  参考文献:India]
  
  1162-53-4 = 974-23-2
  反应条件:1.1 Reagents: Sodium Hydroxide,Hydrogen Peroxide Solvents: Methanol,Water; 0 - 5 °C; 7 H,0 - 25 °C1.2 Reagents: Water; Overnight,20 - 30 °C
  标题:Method For Preparing 3β,16β-Dihydroxy-5-Ene-20S-Methyl-21-Amino-Pregnane
  参考文献:China]
  
  1162-53-4 = 974-23-2
  反应条件:1.1 Reagents: Sodium Hydroxide,Hydrogen Peroxide Solvents: Methanol,Water; 0 - 5 °C; 7 H,0 - 25 °C1.2 Reagents: Water; Overnight,20 - 30 °C
  标题:Method For Synthesis Of 16β,21-Epoxy-20S-Methyl-5-Ene-3β,21β-Pregnanediol
  参考文献:China]
  
  979-02-2 = 974-23-2
  反应条件:1.1 Reagents: Sodium Hydroxide,Hydrogen Peroxide Solvents: Methanol,Water; Rt; 4 H,Rt
  标题:Synthesis And Cytotoxic Effect Of Pregnenolone Derivatives With One Or Two α,β-Unsaturated Carbonyls And An Ester Moiety At C-21 Or C-3
  作者:Chavez-Riveros,Alejandra; Cruz Noriega,Abigail; Ramirez Apan,Maria Teresa; Miranda,Luis D.; Bratoeff,Eugene
  参考文献:Steroids 日期:2018 卷标:131 页码:37-45]
  
  979-02-2 = 974-23-2
  反应条件:1.1 Reagents: Sodium Hydroxide,Hydrogen Peroxide Solvents: Methanol,Water; 15 °C; 23 H,5 °C1.2 Reagents: Water
  标题:Process For The Preparation Of Cyproterone Acetate From Solasodine
  参考文献:European Patent Organization]
  
  979-02-2 = 974-23-2
  反应条件:1.1 Solvents: Methanol; Rt -> 15 °C1.2 Reagents: Sodium Hydroxide,Hydrogen Peroxide Solvents: Water; 24 H,5 °C
  标题:The First Syntheses Of 16β-Chloro- And 16β-Bromocyproterone Acetate
  作者:Sakee,Uthai; Kongkathip,Ngampong; Kongkathip,Boonsong
  参考文献:Synthetic Communications 日期:2003 卷标:33(10) 页码:1695-1706]
  
  979-02-2 = 974-23-2
  反应条件:1.1 Reagents: Sodium Hydroxide,Hydrogen Peroxide Solvents: Methanol,Water; 15 Min,0 °C; Overnight
  标题:Synthesis Of 2-(16,17-Epoxy-3β,20-Dihydroxypregn-5-En-20-Yl)-1,3-Dithiane From Diosgenin
  作者:Valiullina,Z. R.; Khasanova,L. S.; Miftakhov,M. S.
  参考文献:Russian Journal Of Organic Chemistry 日期:2022 卷标:58(11) 页码:1641-1647]
  
  979-02-2 = 974-23-2
  反应条件:1.1 Reagents: Sodium Hydroxide,Hydrogen Peroxide Solvents: Dichloromethane,Water; 24 - 26 °C; 4 - 5 H,30 - 32 °C
  标题:Improved Method For Synthesis Of 3β-Hydroxy-16α,17α-Epoxy-5-Pregnene-20-One
  参考文献:China]
  
  1162-53-4 = 974-23-2
  反应条件:1.1 Reagents: Hydrogen Peroxide Solvents: Methanol,Water; 26 °C1.2 Reagents: Sodium Hydroxide Solvents: Water; 31 °C; 31 °C -> 34 °C; 3 H,34 °C
  标题:Method For Synthesis Of 3β-Hydroxy-16α,17α-Epoxy-5-Pregnen-20-One
  参考文献:China]
  
  2241377-78-4 = 974-23-2
  反应条件:1.1 Reagents: Lead Dioxide,Sodium Chloride Solvents: Water,Decanediol; 110 Min,46 °C1.2 Reagents: Zinc Benzoate; 46 °C -> 55 °C; 4 H,55 °C; 55 °C -> 16 °C; 40 Min,16 °C
  标题:Synthesis Method Of Pharmaceutical Intermediate 5-Pregnene-16α,17α-Epoxy-3β-Ol-20-One From 5-Pregnene-16-Hydroxy-17-Bromo-3-Methoxy-20-One
  参考文献:China]
  
  979-02-2 = 974-23-2
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Methanol,Water1.2 Reagents: 1,1-Diamino-1-Hydroperoxymethanol; 72 H,5 °C
  标题:Process For Preparing Guggulsterones From 16-Dihydropegnenolone Acetate
  参考文献:World Intellectual Property Organization]
  
  979-02-2 = 974-23-2
  反应条件:1.1 Reagents: Sodium Hydroxide,Hydrogen Peroxide Solvents: Methanol,Water; < 15 °C; 8 H,Rt
  标题:A Steroidal Alkaloid Hydrochloride,Its Preparation Method And Application
  参考文献:China]
  
  979-02-2 = 974-23-2
  反应条件:1.1 Reagents: Potassium Hydroxide,Hydrogen Peroxide Solvents: Methanol; 24 H,5 °C
  标题:21-Monohydroxylation Of 17β-Acetyl Steroids Using Phenyliodosodiacetate: One-Step Method And Its Limitations
  作者:Huy,L. D.; Diep,N. T.
  参考文献:Pharmaceutical Chemistry Journal 日期:2011 卷标:45(9) 页码:552-555]
  
  979-02-2 = 974-23-2
  反应条件:1.1 Reagents: Potassium Hydroxide,Hydrogen Peroxide Solvents: Methanol; 24 H,5 °C
  标题:Direct α-Hydroxylation Of 17β-Acetyl Steroids Using Phenyliodosodiacetate
  作者:Huy,Luu Duc; Diep,Nguyen Thi
  参考文献:Advances In Natural Sciences (Hanoi 日期:2002 卷标:3(2) 页码:179-184]
  
  979-02-2 = 974-23-2
  反应条件:1.1 Reagents: Sodium Hydroxide,Hydrogen Peroxide Solvents: Methanol,Water; Rt; 4 H,Rt
  标题:Synthesis And Identification Of Pregnenolone Derivatives As Inhibitors Of Isozymes Of 5α-Reductase
  作者:Chavez-Riveros,Alejandra; Bratoeff,Eugene; Heuze,Yvonne; Soriano,Juan; Moreno,Isabel; Et Al
  参考文献:Archiv Der Pharmazie (Weinheim 日期:2015 卷标:348(11) 页码:808-816]
  
  979-02-2 = 974-23-2
  反应条件:1.1 Reagents: Sodium Hydroxide,Hydrogen Peroxide Solvents: Water; 5 - 24 H,30 - 40 °C1.2 Reagents: Acetic Acid Solvents: Water; Ph 6 - 7
  标题:Process For Preparation Of 16-β-Methylsterides Compound As Pharmaceutical Intermediate
  参考文献:China]
  
  979-02-2 = 974-23-2
  反应条件:1.1 Reagents: Sodium Hydroxide,Hydrogen Peroxide Solvents: Methanol,Water; 36 H,Rt
  标题:Epoxidation Activities Of Human Cytochromes P450C17 And P450C21
  作者:Yoshimoto,Francis K.; Peng,Hwei-Ming; Zhang,Haoming; Anderson,Sean M.; Auchus,Richard J.
  参考文献:Biochemistry 日期:2014 卷标:53(48) 页码:7531-7540]
  
  979-02-2 = 974-23-2
  反应条件:1.1 Reagents: Sodium Hydroxide,Hydrogen Peroxide Solvents: Water; 2 H,Rt
  标题:Synthesis Of Epoxy-Progesterone Derivatives And Spectroscopic Analysis
  作者:Sun,Feng-Qin; Lu,He-Rong; Ge,Wen-Zhong
  参考文献:Fenzi Kexue Xuebao 日期:2007 卷标:23(3) 页码:209-212]
  
  979-02-2 = 974-23-2
  反应条件:1.1 Reagents: Sodium Hydroxide,Hydrogen Peroxide Solvents: Ethanol,Water
  标题:Synthesis And Transformations Of 20-Isoxazolylsteroids With Modified D Ring: I. Synthesis Of 16α,17α-Epoxy Derivatives
  作者:Litvinovskaya,R. P.; Drach,S. V.; Khripach,V. A.
  参考文献:Russian Journal Of Organic Chemistry (Translation Of Zhurnal Organicheskoi Khimii) 日期:2001 卷标:37(6) 页码:787-792]
  
  979-02-2 = 974-23-2
  反应条件:1.1 Reagents: Sodium Hydroxide,Hydrogen Peroxide Solvents: Methanol,Water; 4 H,Rt
  标题:Synthesis And Biological Activity Of Two Pregnane Derivatives With A Triazole Or Imidazole Ring At C-21
  作者:Silva-Ortiz,Aylin Viviana; Bratoeff,Eugene; Ramirez-Apan,Maria Teresa; Garcia-Becerra,Rocio; Ordaz-Rosado,David; Et Al
  参考文献:Journal Of Steroid Biochemistry And Molecular Biology 日期:2016 卷标:159 页码:8-18

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2905122000-异丙醇
  2905143000-叔丁醇
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

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