CAS: 95716-70-4; (2'R,7R,8R,10S,13S,14S)-Methyl 10,13-Dimethyl-3,5'-Dioxo-1,2,3,4',5',6,7,8,10,12,13,14,15,16-Tetradecahydro-3'H-Spiro[cyclopenta[a]Phenanthrene-17,2'-Furan]-7-Carboxylate

• 英文名称(2'R,7R,8R,10S,13S,14S)-Methyl 10,13-Dimethyl-3,5'-Dioxo-1,2,3,4',5',6,7,8,10,12,13,14,15,16-Tetradecahydro-3'H-Spiro[cyclopenta[a]Phenanthrene-17,2'-Furan]-7-Carboxylate
• 中文名称(7α,17α)-17-羟基-3-氧代-孕甾-4,9(11)-二烯-7,21-二羧酸-gammar-内酯甲酯
• IUPAC名称methyl (7R,10S,13S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylate
• 其它别名Pregna-4,9(11)-diene-7,21-dicarboxylicacid, 17-hydroxy-3-oxo-, g-lactone, methyl ester, (7a,17a)- (9CI); 7a-(Methoxycarbonyl)-9(11)D-canrenone; D9,11-Eplerenone
• CAS编号95716-70-4
• MFCD编号:MFCD11112034
• EINECS号:619-164-5
• FDA UNII编号:J8799R5TMR
• 分子式:C24H30O5
• 分子量:398.49
• 产品CID: 2011500
• 产品分类有机原料→生命科学→甾体

• 相似结构搜索
• InChIKey: GWEKWJOSBYDYDP-CQPWOFQESA-N
• 1S/C24H30O5/c1-22-8-4-15(25)12-14(22)13-16(21(27)28-3)20-17(22)5-9-23(2)18(20)6-10-24(23)11-7-19(26)29-24/h5,12,16,18,20H,4,6-11,13H2,1-3H3/…
• 计算化学: 氢键受体数5.0氢键供体数0可旋转键数1

相似化合物

物理性质

• 熔点>171 °C
• 沸点580.2°C at 760 mmHg
• 闪点251.7±30.2 °C
• 密度1.2±0.1 g/cm3
• PSA:69.67
• LogP:3.9133
• 折射率1.576
• 蒸汽压0.0±1.6 mmHg at 25°C
• 溶解性Acetone (Slightly), Chloroform (Slightly), Dichloromethane (Slightly), Methanol
• 外观形态类白色至浅米色固体
• 储存条件密封, 常温干燥保存

MSDS等安全信息

• GHS符号GHS07
• 警示词Warning
• 危险描述H302-H315-H319-H335
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
• 危险品标志Xn
• 安全声明H303+H313+H333

上下游产品

合成工艺路线路线简述

• 192704-56-6 = 95716-70-4
  反应条件:1.1 Reagents: N,N-Diethyl-1,1,2,3,3,3-Hexafluoro-1-Propanamine Solvents: Acetonitrile; 15 - 25 °C; 8.5 H,15 - 25 °C1.2 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethanol; 5 H,Rt
  标题:Preparation Method Of Eplerenone Intermediate
  参考文献:China]
  
  192704-58-8 = 95716-70-4
  反应条件:1.1 Reagents: Trifluoroacetic Acid Solvents: Acetic Anhydride; 40 - 45 °C; 20 H,40 - 45 °C1.2 Reagents: Water
  标题:Environmentally-Friendly Method For Preparing Of Eplerenone Intermediate δ 9,11-Eplerenone
  参考文献:China]
  
  192704-58-8 = 95716-70-4
  反应条件:1.1 Reagents: Acetic Anhydride,Potassium Formate Solvents: Formic Acid; Rt -> 70 °C; 17 H,70 °C1.2 70 °C -> 100 °C; 2 H,100 °C
  标题:Canrenone Derivative,Its Preparation Method And Application In Synthesis Of Eplerenone
  参考文献:China]
  
  192704-58-8 = 95716-70-4
  反应条件:1.1 Reagents: Acetic Acid,Potassium Acetate Solvents: Water; 120 °C; 1 H
  标题:Synthesis Of Selective Aldosterone Receptor Antagonist Drug Eplerenone
  作者:Chen,Rui; Xu,Yun
  参考文献:Guangzhou Huagong 日期:2015 卷标:43(3) 页码:82-83]
  
  95716-74-8 = 95716-70-4
  反应条件:1.1 Reagents: 1,8-Diazabicyclo[5.4.0]Undec-7-Ene Solvents: Dichloromethane; 10 °C; 2 H,20 - 25 °C; 1 H,20 - 25 °C1.2 Reagents: Sodium Chloride Solvents: Water
  标题:Preparation Of 7α-Cyano-3-Oxo-17α-Pregn-4,9(11)-Dien-21,17-Carbolactone And 11α-Hydroxy-3-Oxo-17α-Pregn-4,6-Dien-21,17-Carbolactone As Intermediates In Synthesis Of Eplerenone
  参考文献:Italy]
  
  192704-56-6 = 95716-70-4
  反应条件:1.1 Reagents: Triethylamine,Methanesulfonyl Chloride Solvents: Dichloromethane; 0 °C1.2 Reagents: Formic Acid,Acetic Anhydride,Potassium Formate; 100 °C
  标题:A Diastereoselective Synthesis Of 7α-Nitromethyl Steroid Derivative And Its Use For An Efficient Synthesis Of Eplerenone
  作者:Zhang,Bin; Chen,Hongli; Tang,Huanyu; Feng,Huijin; Li,Yuanchao
  参考文献:Steroids 日期:2012 卷标:77(11) 页码:1086-1091]
  
  610785-45-0 = 95716-70-4
  反应条件:1.1 Reagents: Potassium Bicarbonate Solvents: Acetone,Water; 2 H,45 °C1.2 3 H,45 °C1.3 Reagents: Potassium Bicarbonate Catalysts: Triethylamine Solvents: Water; 1 H,45 °C1.4 Reagents: Hydrochloric Acid Solvents: Water; 45 °C -> 0 °C
  标题:A New Approach To The Furan Degradation Problem Involving Ozonolysis Of The Trans-Enedione And Its Use In A Cost-Effective Synthesis Of Eplerenone
  作者:Pearlman,Bruce A.; Padilla,Amphlett G.; Hach,John T.; Havens,Jeffrey L.; Pillai,Muniraj D.
  参考文献:Organic Letters 日期:2006 卷标:8(10) 页码:2111-2113]
  
  610785-45-0 = 95716-70-4
  反应条件:1.1 Reagents: Potassium Bicarbonate Solvents: Acetone,Water; 2 H,45 °C1.2 3 H,45 °C1.3 Reagents: Triethylamine,Potassium Bicarbonate Solvents: Water; 1 H,45 °C; 45 °C -> 0 °C1.4 Reagents: Hydrochloric Acid Solvents: Water
  标题:Eplerenone Intermediate,Preparation Method And Application In Preparation Of Eplerenone
  参考文献:China]
  
  192704-56-6 = 95716-70-4
  反应条件:1.1 Reagents: N,N-Diethyl-1,1,2,3,3,3-Hexafluoro-1-Propanamine,N,N-Diethyl-1,2,3,3,3-Pentafluoro-1-Propen-1-Amine Solvents: Chloroform; Rt; 30 H,30 °C1.2 Reagents: Methanol; 30 °C1.3 Reagents: Sodium Bicarbonate Solvents: Water; Ph 8
  标题:Process For The Preparation Of 7α-(Methoxycarbonyl)-3-Oxo-17α-Pregna-4,9(11)-Diene-21,17-Carbolactone,A Useful Intermediate For The Synthesis Of Molecules With Pharmacological Activity
  参考文献:European Patent Organization]
  
  192704-56-6 = 95716-70-4
  反应条件:1.1 Reagents: Boron Trichloride Solvents: Dichloromethane,Tetrahydrofuran; 5 °C1.2 Reagents: Phosphorus Pentachloride; 10 Min,5 °C; 5 °C -> 0 °C1.3 Reagents: Water; 10 Min,< 20 °C
  标题:Preparation Of Eplerenone
  参考文献:China]
  
  192704-56-6 = 95716-70-4
  反应条件:1.1 Reagents: Imidazole,Sulfuryl Chloride Solvents: Tetrahydrofuran; -10 °C; 30 Min,-10 °C; 1 H,Rt
  标题:Synthesis And Physicochemical Characterization Of The Process-Related Impurities Of Eplerenone,An Antihypertensive Drug
  作者:Dams,Iwona; Bialonska,Agata; Cmoch,Piotr; Krupa,Malgorzata; Pietraszek,Anita; Et Al
  参考文献:Molecules 日期:2017 卷标:22(8)]
  
  192704-56-6 = 95716-70-4
  反应条件:1.1 Reagents: Pyridine,Phosphorus Oxychloride; 24 H,Rt
  标题:Synthesis Of Eplerenone From 11α-Hydroxycanrenone
  参考文献:China]
  
  610785-41-6 = 95716-70-4
  反应条件:1.1 Reagents: Ozone; -50 °C; -50 °C -> -20 °C1.2 Reagents: Iron; -20 °C
  标题:Method For Synthesizing 7A-(Methylformate)-9(11)-Ene Canrenone
  参考文献:China]
  
  610785-40-5 = 95716-70-4
  反应条件:1.1 Reagents: 1,3-Dibromo-5,5-Dimethylhydantoin,Sodium Acetate Solvents: Tetrahydrofuran,Water; 1 H,Rt1.2 Reagents: Osmium Tetroxide Solvents: 1,4-Dioxane,Water; 0.5 H,Rt1.3 Reagents: Sodium Periodate; 12 H,Rt1.4 Reagents: 4-(Dimethylamino)Pyridine,1-Ethyl-3-(3′-Dimethylaminopropyl)Carbodiimide Hydrochloride Solvents: Dichloromethane; 8 H,0 °C1.5 Reagents: Water
  标题:Method For Synthesizing Eplerenone
  参考文献:China]
  
  610785-45-0 = 95716-70-4
  反应条件:1.1 Reagents: Potassium Bicarbonate Solvents: Tetrahydrofuran; 10 °C
  标题:Preparation Of Eplerenone With High Efficiency And Low Pollution
  参考文献:China]
  
  610785-40-5 = 95716-70-4
  反应条件:1.1 Reagents: 1,3-Dibromo-5,5-Dimethylhydantoin,Sodium Acetate Solvents: Isobutyl Vinyl Ether,Tetrahydrofuran,Water; 1 H,Rt1.2 Reagents: Osmium Tetroxide Solvents: 1,4-Dioxane,Water; 15 Min,Rt1.3 Reagents: Sodium Periodate; 16 H,Rt1.4 Reagents: 4-(Dimethylamino)Pyridine,1-Ethyl-3-(3′-Dimethylaminopropyl)Carbodiimide Hydrochloride Solvents: Dichloromethane; 0 - 5 °C; 5 °C -> Rt; 6 - 8 H,Rt
  标题:Novel Method For Preparation Of Eplerenone,A Steroid-Type Aldosterone Receptor Antagonist,With Androstenedione
  参考文献:China]
  
  610785-45-0 = 95716-70-4 [标题:Reaction Conditions
  标题:Stereoselective Construction Of A Steroid 5α,7α-Oxymethylene Derivative And Its Use In The Synthesis Of Eplerenone
  作者:Zhang,Bin; Chen,Hongli; Feng,Huijin; Li,Yuanchao
  参考文献:Steroids 日期:2011 卷标:76(1-2) 页码:56-59]
  
  95716-74-8 = 95716-70-4
  反应条件:1.1 Solvents: Dichloromethane; Rt -> 0 °C1.2 Solvents: Diethyl Ether; 0 - 10 °C1.3 Reagents: Alumina; Rt
  标题:Process For The Preparation Of Eplerenone From 11α-Hydroxycanrenone
  参考文献:Italy]
  
  = 95716-70-4
  反应条件:1.1 Solvents: Dimethylformamide,Water; 3 H,Reflux; Reflux -> 70 °C
  标题:Method For Synthesis Of Steroid Medicine Eplerenone
  参考文献:China]
  
  95716-71-5 = 95716-70-4
  反应条件:1.1 Reagents: Lithium Chloride Solvents: Dimethylformamide; 20 Min,Rt1.2 Reagents: Acetone Cyanohydrin; 5 Min,Rt1.3 Reagents: Triethylamine; Rt -> 85 °C; 15 H,85 °C1.4 Reagents: Sodium Carbonate Solvents: Water; 5 Min,85 °C; 85 °C -> 0 °C1.5 Reagents: Sodium Hypochlorite Solvents: Water1.6 Reagents: Hydrochloric Acid Solvents: Methanol,Water; 5 H,80 °C; 80 °C -> 0 °C; 2 H,0 °C1.7 Solvents: Methanol; 20 H,Reflux1.8 Reagents: Hydrochloric Acid Solvents: Water
  标题:Preparation Of Methyl 9α,11α-Epoxy-17β-Hydroxy-3-Oxo-Pregn-4-Ene-7,21-Dicarboxylate γ-Lactone (Eplerenone)
  参考文献:China

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  2905143000-叔丁醇
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