CAS: 797-63-7; [18,19-Dinorpregn-4-En-20-Yn-3-One-13-Ethyl-17-Hydroxy-,(17.α.)-(-)-]

• 英文名称[18,19-Dinorpregn-4-En-20-Yn-3-One-13-Ethyl-17-Hydroxy-,(17.α.)-(-)-]
• 中文名称左炔诺孕酮
• IUPAC名称(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
• 其它别名D(-)-13beta-Ethyl-17alpha-ethynyl-17beta-hydroxygon-4-en-3-one
• CAS编号797-63-7
• MFCD编号:MFCD06198806
• EINECS号:212-349-8
• 分子式:C21H28O2
• 分子量:312.45
• 产品CID: 1791594
• 同类组份化合物CAS797-63-7 (free)13635-16-0 (hexanoate)86679-33-6 (butyrate)
• 产品分类原料药 → 激素及调节内分泌功能类药 → 避孕药

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: WWYNJERNGUHSAO-XUDSTZEESA-N
• InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-…
• 计算化学: 氢键受体数2.0氢键供体数1.0可旋转键数2.0

物理性质

• 熔点206 °C
• 沸点459.1±45.0 °C at 760 mmHg
• 闪点195.4±21.3 °C
• 密度1.1±0.1 g/cm3
• PH:D20 -32.4° (c = 0.496 in CHCl3)
• pKa:13.09±0.40(预测)
• PSA:37.3
• LogP:3.92
• 折射率1.571
• 蒸汽压0.0±2.6 mmHg at 25°C
• 溶解性Practically Insoluble In Water, Sparingly Soluble In Methylene Chloride, Slightly Soluble In Ethanol (96 Per Cent).
• 外观形态甲醇/氯仿中析出的晶体固体
• 储存条件密封干燥,2-8°C
• 产品应用是一N用於快速避孕的短效物.它可以抑制排卵K阻止孕卵著床,同r使mi黏液舛仍龃螅阻止精子前M.服用左炔Z孕酮可能造成p微的I吐,f心.可能造成女性下次月提前或延期.

MSDS等安全信息

• GHS象形图
• GHS符号GHS08 & GHS07;
  注释: Health hazard & Exclamation mark
• 危险类别致癌性 类别2
  生殖毒性 类别1A
  急性毒性 类别4(吸入)
  急性毒性 类别4(经皮)
  生殖毒性 类别1B
  急性毒性 类别4(经口)
• 警示词Danger(危险)
• 危险描述H351 |怀疑致癌.
  H360 |可能损害生育能力或胎儿.
  H332 |吸入有害.
  H312 |皮肤接触有害.
  H302 |吞咽有害.
• 防范说明P202-P260-P263-P264-P270-P308+P313
• UN编号NONH for all modes of transport
• 危险品标志Xn,T
• 安全声明22-36
• 危险类别码20/21/22-40-60
• 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 Levonorgestrel 主要起始原料 13-Ethyl-3-Methoxy-18,19-Dinor-17Alpha-Pregna-2,5(10)-Dien-20-Yn-17-Ol
• 19882-75-8 + 38393-52-1 = 797-63-7
  反应条件:1.1 Reagents: Lithium Aluminum Hydride Solvents: Diethyl Ether2.1 Reagents: Aniline,Lithium Solvents: Tetrahydrofuran,Ammonia3.1 Reagents: Methyl Ethyl Ketone,Lithium Isopropoxide Solvents: Benzene4.1 Reagents: Ethylenediamine,Lithium Solvents: Tetrahydrofuran
  标题:Total Synthesis Of (-)-Norgestrel
  作者:Baier,Helmut; Et Al
  参考文献:Helvetica Chimica Acta 日期:1985 卷标:68(4) 页码:1054-68]
  
  101025-85-8 = 797-63-7
  反应条件:1.1 Reagents: 2,4,6-Trimethylphenol Solvents: Methylcyclohexane,Pyridine2.1 Reagents: Lithium Aluminum Hydride Solvents: Diethyl Ether3.1 Reagents: Aniline,Lithium Solvents: Tetrahydrofuran,Ammonia4.1 Reagents: Methyl Ethyl Ketone,Lithium Isopropoxide Solvents: Benzene5.1 Reagents: Ethylenediamine,Lithium Solvents: Tetrahydrofuran
  标题:Total Synthesis Of (-)-Norgestrel
  作者:Baier,Helmut; Et Al
  参考文献:Helvetica Chimica Acta 日期:1985 卷标:68(4) 页码:1054-68]
  
  2322-77-2 + 1066-54-2 = 797-63-7
  反应条件:1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran; 1 H,-40 °C -> -20 °C1.2 Solvents: Tetrahydrofuran; 1 H,-40 °C1.3 Catalysts: Tetrabutylammonium Fluoride Solvents: Tetrahydrofuran; 1 H,-40 °C -> Rt1.4 Reagents: Hydrochloric Acid Solvents: Water; Neutralized
  标题:One-Pot Ethynylation And Catalytic Desilylation In Synthesis Of Mestranol And Levonorgestrel
  作者:Wong,Fung Fuh; Et Al
  参考文献:Tetrahedron 日期:2010 卷标:66(23) 页码:4068-4072]
  
  925-90-6 + 139590-87-7 = 797-63-7
  反应条件:1.1 Reagents: Cerium Trichloride Solvents: Tetrahydrofuran1.2 Reagents: Hydrochloric Acid Solvents: Methanol
  标题:An Improved Alternative Norgestrel Preparation
  作者:Ferrino,Sergio; Et Al
  参考文献:Synthetic Communications 日期:1996 卷标:26(7) 页码:1461-5]
  
  21800-83-9 + 4301-14-8 = 797-63-7
  反应条件:1.1 Solvents: Tetrahydrofuran; 0 °C
  标题:Steroidal Molecular Rotors With 1,4-Diethynylphenylene Rotators: Experimental And Theoretical Investigations Toward Seeking Efficient Properties
  作者:Olszewska,Karolina; Et Al
  参考文献:Journal Of Physical Chemistry B 日期:2020 卷标:124(43) 页码:9625-9635]
  
  2322-77-2 = 797-63-7
  反应条件:1.1 Reagents: Ethylenediamine,Lithium Solvents: Tetrahydrofuran
  标题:Total Synthesis Of (-)-Norgestrel
  作者:Baier,Helmut; Et Al
  参考文献:Helvetica Chimica Acta 日期:1985 卷标:68(4) 页码:1054-68]
  
  14507-49-4 = 797-63-7
  反应条件:1.1 Reagents: Methyl Ethyl Ketone,Lithium Isopropoxide Solvents: Benzene2.1 Reagents: Ethylenediamine,Lithium Solvents: Tetrahydrofuran
  标题:Total Synthesis Of (-)-Norgestrel
  作者:Baier,Helmut; Et Al
  参考文献:Helvetica Chimica Acta 日期:1985 卷标:68(4) 页码:1054-68]
  
  19882-76-9 + 7443-72-3 = 797-63-7
  反应条件:1.1 Reagents: Aniline,Lithium Solvents: Tetrahydrofuran,Ammonia2.1 Reagents: Methyl Ethyl Ketone,Lithium Isopropoxide Solvents: Benzene3.1 Reagents: Ethylenediamine,Lithium Solvents: Tetrahydrofuran
  标题:Total Synthesis Of (-)-Norgestrel
  作者:Baier,Helmut; Et Al
  参考文献:Helvetica Chimica Acta 日期:1985 卷标:68(4) 页码:1054-68

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2901292000-乙炔
  2905122000-异丙醇
• 💡 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

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