CAS: 82586-55-8; (S)-2-(((S)-1-Ethoxy-1-Oxo-4-Phenylbutan-2-yl)-L-Alanyl)-1,2,3,4-Tetrahydroisoquinoline-3-Carboxylic Acid Hydrochloride

• 英文名称(S)-2-(((S)-1-Ethoxy-1-Oxo-4-Phenylbutan-2-yl)-L-Alanyl)-1,2,3,4-Tetrahydroisoquinoline-3-Carboxylic Acid Hydrochloride
• 中文名称喹那昔利
• IUPAC名称(3S)-2-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid;hydrochloride
• 其它别名(3S-(2(R*(R*)),3R*))-2-(2-((1-(Ethoxycarbonyl)-3-phenylpropyl)amino)-1-oxopropyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid monohydr°Chloride
• CAS编号82586-55-8
• MFCD编号:MFCD00889215
• EINECS号:620-479-5
• FDA UNII编号:33067B3N2M
• 分子式:C25H31ClN2O5
• 分子量:474.98
• 产品CID: 1816366
• 同类组份化合物CAS85441-61-8 (free base)82586-55-8 (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
• InChIKey: IBBLRJGOOANPTQ-JKVLGAQCSA-N
• IBBLRJGOOANPTQ-ZKASTLJSNA-N…
• 计算化学: 氢键受体数6.0氢键供体数3.0可旋转键数10.0

物理性质

• 熔点120-130 °C
• 沸点662 °C at 760 mmHg
• 闪点354.1 °C
• PH:D23 +14.5° (c = 1.2 in ethanol) (Klutchko); D25 +15.4° (c = 2 in methanol) (Goel, Krolls)
• PSA:95.94
• LogP:3.6979
• 蒸汽压2E-18 mmHg at 25 °C
• 溶解性水: >10mg/mL
• 外观形态白色固体
• 储存条件2-8°C
• 产品应用抗高血压药物.
• 性质描述白色或类白色结晶性粉末

MSDS等安全信息

• GHS象形图
• GHS符号GHS08;
  注释: Health hazard
• 危险类别生殖毒性 类别2
  特定目标器官毒性-重复接触 类别1
  严重眼刺激 类别2
• 警示词Warning(警告)
• 危险描述H361 |怀疑对生育能力或胎儿造成损害.
  H361d |怀疑对胎儿造成损害.
  H372 |长期或反复接触损害器官.
  H319 |造成严重眼刺激.
• 防范说明P201-P202-P270-P281-P301+P312-P308+P313-P403-P501c
• UN编号NONH for all modes of transport
• 危险品标志Xi
• 安全声明22-24/25
• WGK Germany2

欧盟法规

上下游产品

合成工艺路线路线简述

• 82586-60-5 + 82717-96-2 = 82586-55-8
  反应条件:1.1 Reagents: Triethylamine,Dicyclohexylcarbodiimide,1-Hydroxybenzotriazole Solvents: Tetrahydrofuran2.1 Reagents: Trifluoroacetic Acid Solvents: Trifluoroacetic Acid
  标题:Synthesis Of Novel Angiotensin Converting Enzyme Inhibitor Quinapril And Related Compounds. A Divergence Of Structure-Activity Relationships For Non-Sulfhydryl And Sulfhydryl Types
  作者:Klutchko,Sylvester; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:1986 卷标:29(10) 页码:1953-61]
  
  = 82586-55-8
  反应条件:1.1 Reagents: Sodium Carbonate Solvents: Dimethylformamide; 10 H,Rt2.1 Reagents: P-Toluenesulfonic Acid Solvents: Toluene; 10 H,Reflux3.1 Reagents: Hydrogen,Hydrochloric Acid Catalysts: Palladium Dihydroxide Solvents: Ethanol,Water; 1 H,60 Psi,Rt
  标题:Application Of Ugi Three Component Reaction For The Synthesis Of Quinapril Hydrochloride
  作者:Borase,Bhushan B.; Et Al
  参考文献:Synthetic Communications 日期:2020 卷标:50(1) 页码:48-55]
  
  104-15-4 + 74163-81-8 + 100-51-6 = 82586-55-8
  反应条件:1.1 Solvents: Toluene; 6 H,Reflux2.1 Reagents: Sodium Bicarbonate Solvents: Dichloromethane,Water; 7 H,Rt2.2 Reagents: Ethyl Acetate; 1 - 2 H,Rt3.1 Reagents: Sodium Carbonate Solvents: Water; 30 Min,Rt3.2 Reagents: Hydrochloric Acid; 1.5 H,Rt3.3 Reagents: Hydrogen Catalysts: Palladium,Silica,Nickel Boride (Nib) Solvents: Ethanol; 10 H,1.5 Mpa,33 - 34 °C
  标题:Synthesis Of Quinapril Hydrochloride
  作者:Tang,Linsheng; Et Al
  参考文献:Zhongguo Yiyao Gongye Zazhi 日期:2009 卷标:40(8) 页码:563-566]
  
  = 82586-55-8
  反应条件:1.1 Reagents: Hydrogen,Hydrochloric Acid Catalysts: Palladium Dihydroxide Solvents: Ethanol,Water; 1 H,60 Psi,Rt
  标题:Application Of Ugi Three Component Reaction For The Synthesis Of Quinapril Hydrochloride
  作者:Borase,Bhushan B.; Et Al
  参考文献:Synthetic Communications 日期:2020 卷标:50(1) 页码:48-55]
  
  110-16-7 + 82586-53-6 = 82586-55-8
  反应条件:1.1 Reagents: Sodium Carbonate Solvents: Water; 30 Min,Rt1.2 Reagents: Hydrochloric Acid; 1.5 H,Rt1.3 Reagents: Hydrogen Catalysts: Palladium,Silica,Nickel Boride (Nib) Solvents: Ethanol; 10 H,1.5 Mpa,33 - 34 °C
  标题:Synthesis Of Quinapril Hydrochloride
  作者:Tang,Linsheng; Et Al
  参考文献:Zhongguo Yiyao Gongye Zazhi 日期:2009 卷标:40(8) 页码:563-566]
  
  110-16-7 + 82586-53-6 = 82586-55-8
  反应条件:1.1 Reagents: Sodium Bicarbonate,Hydrogen Catalysts: Palladium Solvents: Ethyl Acetate,Water; Rt1.2 Reagents: Hydrochloric Acid Solvents: Ethyl Acetate
  标题:Asymmetric Synthesis Of Quinapril
  作者:Sun,Ping-Hua; Et Al
  参考文献:Zhongguo Xinyao Zazhi 日期:2006 卷标:15(22) 页码:1945-1947]
  
  = 82586-55-8
  反应条件:1.1 Reagents: Hydrogen,Hydrochloric Acid Catalysts: Palladium Solvents: Diethyl Ether
  标题:Methods For The Synthesis Of Aminosuberic Acid Derivatives
  参考文献:Germany]
  
  82586-56-9 = 82586-55-8
  反应条件:1.1 Reagents: Trifluoroacetic Acid Solvents: Trifluoroacetic Acid
  标题:Synthesis Of Novel Angiotensin Converting Enzyme Inhibitor Quinapril And Related Compounds. A Divergence Of Structure-Activity Relationships For Non-Sulfhydryl And Sulfhydryl Types
  作者:Klutchko,Sylvester; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:1986 卷标:29(10) 页码:1953-61]
  
  103733-30-8 + 82717-96-2 = 82586-55-8
  反应条件:1.1 Reagents: Triethylamine,Dicyclohexylcarbodiimide,1-Hydroxybenzotriazole Solvents: Dichloromethane2.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Tetrahydrofuran
  标题:Synthesis Of Novel Angiotensin Converting Enzyme Inhibitor Quinapril And Related Compounds. A Divergence Of Structure-Activity Relationships For Non-Sulfhydryl And Sulfhydryl Types
  作者:Klutchko,Sylvester; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:1986 卷标:29(10) 页码:1953-61]
  
  104-15-4 + 77497-96-2 + 82717-96-2 + 110-16-7 = 82586-55-8
  反应条件:1.1 Reagents: Sodium Bicarbonate,Dicyclohexylcarbodiimide,1-Hydroxybenzotriazole Solvents: Dichloromethane,Ethyl Acetate,Water; Rt; 10 H,Reflux1.2 Solvents: Ethyl Acetate2.1 Reagents: Sodium Bicarbonate,Hydrogen Catalysts: Palladium Solvents: Ethyl Acetate,Water; Rt2.2 Reagents: Hydrochloric Acid Solvents: Ethyl Acetate
  标题:Asymmetric Synthesis Of Quinapril
  作者:Sun,Ping-Hua; Et Al
  参考文献:Zhongguo Xinyao Zazhi 日期:2006 卷标:15(22) 页码:1945-1947]
  
  104-15-4 + 77497-96-2 + 84793-24-8 + 110-16-7 = 82586-55-8
  反应条件:1.1 Reagents: Sodium Bicarbonate Solvents: Dichloromethane,Water; 7 H,Rt1.2 Reagents: Ethyl Acetate; 1 - 2 H,Rt2.1 Reagents: Sodium Carbonate Solvents: Water; 30 Min,Rt2.2 Reagents: Hydrochloric Acid; 1.5 H,Rt2.3 Reagents: Hydrogen Catalysts: Palladium,Silica,Nickel Boride (Nib) Solvents: Ethanol; 10 H,1.5 Mpa,33 - 34 °C
  标题:Synthesis Of Quinapril Hydrochloride
  作者:Tang,Linsheng; Et Al
  参考文献:Zhongguo Yiyao Gongye Zazhi 日期:2009 卷标:40(8) 页码:563-566]
  
  = 82586-55-8
  反应条件:1.1 Reagents: P-Toluenesulfonic Acid Solvents: Toluene; 10 H,Reflux2.1 Reagents: Hydrogen,Hydrochloric Acid Catalysts: Palladium Dihydroxide Solvents: Ethanol,Water; 1 H,60 Psi,Rt
  标题:Application Of Ugi Three Component Reaction For The Synthesis Of Quinapril Hydrochloride
  作者:Borase,Bhushan B.; Et Al
  参考文献:Synthetic Communications 日期:2020 卷标:50(1) 页码:48-55

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

专利信息

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