CAS: 86541-75-5; 2-((S)-3-(((S)-1-Ethoxy-1-Oxo-4-Phenylbutan-2-yl)Amino)-2-Oxo-2,3,4,5-Tetrahydro-1H-Benzo[b]Azepin-1-yl)Acetic Acid

• 英文名称2-((S)-3-(((S)-1-Ethoxy-1-Oxo-4-Phenylbutan-2-yl)Amino)-2-Oxo-2,3,4,5-Tetrahydro-1H-Benzo[b]Azepin-1-yl)Acetic Acid
• 中文名称贝那普利
• IUPAC名称2-((S)-3-(((S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)acetic acid
• 其它别名(3S)-3-[[(1S)-1-(Ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepine-1-acetic acid; 2-[(4S)-4-[[(1S)-1-ethoxycarbonyl-3-phenyl-propyl]amino]-5-oxo-6-azabicyclo[5.4.0]undeca
• CAS编号86541-75-5
• MFCD编号:MFCD00864466
• 分子式:C24H28N2O5
• 分子量:424.5
• 产品CID: 1867776
• 同类组份化合物CAS86541-75-5 (free base)86541-74-4 (HCl)
• 产品分类原料药 → 循环系统用药 → 抗高血压病药

• 相似结构搜索
• 产品信息参考;;
• InChIKey: XPCFTKFZXHTYIP-PMACEKPBSA-N
• XPCFTKFZXHTYIP-PMACEKPBSA-N…
• 计算化学: 氢键受体数6.0氢键供体数2.0可旋转键数10.0

物理性质

• 熔点133-135  °C(文献)
• 沸点691.2±55.0 °C at 760 mmHg
• 闪点371.8±31.5 °C
• 密度1.3±0.1 g/cm3
• PH:D -159° (c = 1.2 in ethanol)
• pKa:3.73±0.10(预测)
• PSA:95.94
• LogP:3.86
• 折射率1.608
• 蒸汽压0.0±2.3 mmHg at 25°C
• 溶解性Soluble In DMSO
• 外观形态白色至类白色固体
• 储存条件2-8°C
• 产品应用贝那普利(86541-75-5)的用途:前体药物,吸收迅速,主要在肝脏中转换为有活性的代谢物贝那普利拉而发挥抑制血管紧张素作用.用于高血压.

MSDS等安全信息

• 警示词Warning
• 危险描述H302-
• 防范说明P280-P305+P351+P338-
• 危险品标志Xn
• 安全声明22-24/25

上下游产品

合成工艺路线路线简述

• 合成目标产物 Benazepril 主要起始原料 Benazepril Hydrochloride
• 125639-64-7 + 109010-60-8 = 86541-75-5 [标题:Reaction Conditions
  标题:Iridium/f-Amphox-Catalyzed Asymmetric Hydrogenation Of Styrylglyoxylamides
  作者:Wang,Simin; Et Al
  参考文献:Synlett 日期:2018 卷标:29(16) 页码:2203-2207]
  
  75-64-9 + 1914-59-6 = 86541-75-5
  反应条件:1.1 Reagents: Triethylamine,1-Hydroxybenzotriazole,O-(7-Azabenzotriazol-1-Yl)-N,N,N′,N′-Tetramethyluronium Hexafluorophosphate Solvents: Dimethylformamide; 0 °C; 12 H,Rt2.1 Catalysts: Di-μ-Chlorobis[(1,2,5,6-η)-1,5-Cyclooctadiene]Diiridium,(2S)-1-[(1S)-1-[[[(4S)-4-(1,1-Dimethylethyl)-4,5-Dihydro-2-Oxazolyl]Methyl]Amino... Solvents: Isopropanol; 2 H,25 °C2.2 Reagents: Potassium Hydroxide,Hydrogen Solvents: Isopropanol,1,2-Dichloroethane; 12 H,20 Atm,Rt3.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol; 6 H,20 Atm,Rt4.1 Reagents: Hydrogen Bromide Solvents: Water; Rt -> 120 °C; 12 H,120 °C5.1 Reagents: Sulfuric Acid Solvents: Ethanol; Cooled; 24 H,Rt6.1 -
  标题:Iridium/f-Amphox-Catalyzed Asymmetric Hydrogenation Of Styrylglyoxylamides
  作者:Wang,Simin; Et Al
  参考文献:Synlett 日期:2018 卷标:29(16) 页码:2203-2207]
  
  127-17-3 + 100-52-7 = 86541-75-5
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Methanol; 25 °C -> 40 °C; 1 H,40 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; 40 °C2.1 Reagents: Triethylamine,1-Hydroxybenzotriazole,O-(7-Azabenzotriazol-1-Yl)-N,N,N′,N′-Tetramethyluronium Hexafluorophosphate Solvents: Dimethylformamide; 0 °C; 12 H,Rt3.1 Catalysts: Di-μ-Chlorobis[(1,2,5,6-η)-1,5-Cyclooctadiene]Diiridium,(2S)-1-[(1S)-1-[[[(4S)-4-(1,1-Dimethylethyl)-4,5-Dihydro-2-Oxazolyl]Methyl]Amino... Solvents: Isopropanol; 2 H,25 °C3.2 Reagents: Potassium Hydroxide,Hydrogen Solvents: Isopropanol,1,2-Dichloroethane; 12 H,20 Atm,Rt4.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol; 6 H,20 Atm,Rt5.1 Reagents: Hydrogen Bromide Solvents: Water; Rt -> 120 °C; 12 H,120 °C6.1 Reagents: Sulfuric Acid Solvents: Ethanol; Cooled; 24 H,Rt7.1 -
  标题:Iridium/f-Amphox-Catalyzed Asymmetric Hydrogenation Of Styrylglyoxylamides
  作者:Wang,Simin; Et Al
  参考文献:Synlett 日期:2018 卷标:29(16) 页码:2203-2207]
  
  115016-95-0 = 86541-75-5
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Ethanol; Cooled; 24 H,Rt2.1 -
  标题:Iridium/f-Amphox-Catalyzed Asymmetric Hydrogenation Of Styrylglyoxylamides
  作者:Wang,Simin; Et Al
  参考文献:Synlett 日期:2018 卷标:29(16) 页码:2203-2207]
  
  586396-61-4 = 86541-75-5
  反应条件:1.1 Reagents: Hydrogen Bromide Solvents: Water; Rt -> 120 °C; 12 H,120 °C2.1 Reagents: Sulfuric Acid Solvents: Ethanol; Cooled; 24 H,Rt3.1 -
  标题:Iridium/f-Amphox-Catalyzed Asymmetric Hydrogenation Of Styrylglyoxylamides
  作者:Wang,Simin; Et Al
  参考文献:Synlett 日期:2018 卷标:29(16) 页码:2203-2207]
  
  586396-58-9 = 86541-75-5
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol; 6 H,20 Atm,Rt2.1 Reagents: Hydrogen Bromide Solvents: Water; Rt -> 120 °C; 12 H,120 °C3.1 Reagents: Sulfuric Acid Solvents: Ethanol; Cooled; 24 H,Rt4.1 -
  标题:Iridium/f-Amphox-Catalyzed Asymmetric Hydrogenation Of Styrylglyoxylamides
  作者:Wang,Simin; Et Al
  参考文献:Synlett 日期:2018 卷标:29(16) 页码:2203-2207]
  
  1190946-81-6 = 86541-75-5
  反应条件:1.1 Catalysts: Di-μ-Chlorobis[(1,2,5,6-η)-1,5-Cyclooctadiene]Diiridium,(2S)-1-[(1S)-1-[[[(4S)-4-(1,1-Dimethylethyl)-4,5-Dihydro-2-Oxazolyl]Methyl]Amino... Solvents: Isopropanol; 2 H,25 °C1.2 Reagents: Potassium Hydroxide,Hydrogen Solvents: Isopropanol,1,2-Dichloroethane; 12 H,20 Atm,Rt2.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol; 6 H,20 Atm,Rt3.1 Reagents: Hydrogen Bromide Solvents: Water; Rt -> 120 °C; 12 H,120 °C4.1 Reagents: Sulfuric Acid Solvents: Ethanol; Cooled; 24 H,Rt5.1 -
  标题:Iridium/f-Amphox-Catalyzed Asymmetric Hydrogenation Of Styrylglyoxylamides
  作者:Wang,Simin; Et Al
  参考文献:Synlett 日期:2018 卷标:29(16) 页码:2203-2207

海关参考信息

• 2902600000-乙苯
  2905121000-正丙醇
  2905130000-正丁醇
  2909110000-乙醚
• 💡 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