CAS: 92623-85-3; Milnacipran Hydrochloride

• 英文名称Milnacipran Hydrochloride
• 中文名称米那普仑
• IUPAC名称(1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
• 其它别名Cyclopropanecarboxamide,2-(aminomethyl)-N,N-diethyl-1-phenyl-, cis-(?à)-; (1R,2S)-rel-2-(Aminomethyl)-N,N-diethyl-1-phenylcyclopropanecarboxamide; (?à)-Milnacipran; Cyclopropanecarboxamide, 2-(aminomethyl)-N,N-diethyl-1-phenyl-, cis-; Midalcipran; Milnacipran
• CAS编号92623-85-3
• MFCD编号:MFCD00901293
• FDA UNII编号:ES1O38J3C4
• 分子式:C15H22N2O
• 分子量:246.35
• 产品CID: 1964674
• 同类组份化合物CAS101152-94-7 (HCl)92623-85-3 (free base)
• 产品分类原料药 → 其它化学药

• 相似结构搜索
• 产品信息参考;;
• InChIKey: GJJFMKBJSRMPLA-UYWMCZCJNA-N
• 1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m1/s1…
• 计算化学: 氢键受体数2.0氢键供体数1.0可旋转键数5.0

物理性质

• 熔点228-228.5 °C
• 沸点393.0±21.0 °C at 760 mmHg
• 闪点191.5±22.1 °C
• 密度1.1±0.1 g/cm3
• pKa:10.36±0.29(预测)
• PSA:46.33
• LogP:1.23
• 折射率1.554
• 蒸汽压0.0±0.9 mmHg at 25°C
• 溶解性水: 19 mg/mL
• 外观形态白色固体
• 储存条件2-8°C
• 产品应用米那普仑(92623-85-3)的用途:该药是5HT/NA再摄取抑制剂.用于抗抑郁症.
• 性质描述米那普仑(92623-85-3)的性状:盐酸米那普仑(milnacipran hydr°Chloride):C15H22N2O・HCl.白色结晶,熔点180°C.水中的溶解度约为800g/L.

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-P305+P351+P338
• UN编号UN 2811 6.1/PG 3
• 危险品标志Xn
• 危险类别码22
• WGK Germany3

合成工艺路线路线简述

• 105310-75-6 = 92623-85-3
  反应条件:1.1 Reagents: Hydrazine Solvents: Ethanol
  标题:1-Aryl-2-(Aminomethyl)Cyclopropanecarboxylic Acid Derivatives. A New Series Of Potential Antidepressants
  作者:Bonnaud,Bernard; Cousse,Henri; Mouzin,Gilbert; Briley,Mike; Stenger,Antoine; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:1987 卷标:30(2) 页码:318-25]
  
  = 92623-85-3
  反应条件:1.1 Reagents: Triphenylphosphine Solvents: Toluene; 30 Min,Rt; 1 H,Rt
  标题:An Improved Process For The Preparation Of 1-Aryl-2-Aminomethylcyclopropanecarboxamide Derivatives,Their Isomers And Salts
  参考文献:India]
  
  = 92623-85-3 [标题:Reaction Conditions
  标题:In Vivo And In Vitro Olefin Cyclopropanation Catalyzed By Engineered And Chimeric Heme Enzymes
  参考文献:World Intellectual Property Organization]
  
  = 92623-85-3 [标题:Reaction Conditions
  标题:Process For The Preparation Of Milnacipran Hydrochloride
  参考文献:India]
  
  = 92623-85-3 [标题:Reaction Conditions
  标题:Process For Preparing Optically Pure Milnacipran And Its Pharmaceutically Acceptable Salts Via Salt Resolution
  参考文献:India]
  
  101152-94-7 = 92623-85-3
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Dichloromethane,Water; Ph 10.5,Rt
  标题:Process For Preparing Optically Pure Milnacipran And Its Pharmaceutically Acceptable Salts Via Salt Resolution
  参考文献:World Intellectual Property Organization]
  
  = 92623-85-3
  反应条件:1.1 Reagents: Trifluoroacetic Acid Solvents: Dichloromethane; 30 Min,Rt
  标题:Modular Synthesis Of Cyclopropane-Fused N-Heterocycles Enabled By Underexplored Diazo Reagents
  作者:Richter,Matthieu J. R.; Zecri,Frederic J.; Briner,Karin; Schreiber,Stuart L.
  参考文献:Angewandte Chemie 日期:2022 卷标:61(38)]
  
  = 92623-85-3
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water
  标题:Milnacipran As A Challenging Example Of Aminomethyl Substrate For Lipase-Catalyzed Kinetic Resolution
  作者:Sanfilippo,Claudia; Nicolosi,Giovanni; Patti,Angela
  参考文献:Journal Of Molecular Catalysis B: Enzymatic 日期:2014 卷标:104 页码:82-86]
  
  101152-94-7 = 92623-85-3
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Dichloromethane,Water
  标题:A Process For The Preparation Of Levomilnacipran
  参考文献:Italy]
  
  105310-75-6 = 92623-85-3
  反应条件:1.1 Reagents: Methylamine; 2 H,Rt
  标题:An Improved Process For The Preparation Of Milnacipran And Salts Thereof
  参考文献:India]
  
  105310-75-6 = 92623-85-3
  反应条件:1.1 Reagents: Methylamine Solvents: Toluene,Water; 24 H,20 - 30 °C
  标题:Improved Process For The Preparation Of (Z)-2-Aminomethyl-1-Phenyl-N,N-Diethylcyclopropanecarboxamide
  参考文献:India]
  
  105310-75-6 = 92623-85-3
  反应条件:1.1 Reagents: Methylamine Solvents: Toluene,Water; 24 H,20 - 30 °C
  标题:Method For Preparation Of (Z)-2-Oxo-1-Phenyl--3-Oxabicyclo[3,1,0]Hexane Via Condensation Of 2-Phenylacetonitrile And 2-(Chloromethyl)Oxiane
  参考文献:World Intellectual Property Organization]
  
  105310-75-6 = 92623-85-3
  反应条件:1.1 Reagents: Methylamine Solvents: Water; Rt; Rt -> 45 °C; 2 H,40 - 45 °C
  标题:Process For Preparation Of Milnacipran Intermediate And Its Use In Preparation Of Pure Milnacipran
  参考文献:World Intellectual Property Organization]
  
  105310-75-6 = 92623-85-3
  反应条件:1.1 Reagents: Methylamine Solvents: Toluene,Water; 10 - 15 °C; 20 H,25 - 30 °C
  标题:Process For Preparation Milnacipran Crystalline Form G Via Treatment Of The Phthalimide Derivative With Methylamine In An Organic Solvent
  参考文献:United States]
  
  = 92623-85-3 [标题:Reaction Conditions
  标题:Process For Preparing Optically Pure Milnacipran And Its Pharmaceutically Acceptable Salts
  参考文献:United States]
  
  = 92623-85-3 [标题:Reaction Conditions
  标题:Toward A Large-Scale Approach To Milnacipran Analogues Using Diazo Compounds In Flow Chemistry
  作者:Muller,Simon T. R.; Murat,Aurelien; Hellier,Paul; Wirth,Thomas
  参考文献:Organic Process Research & Development 日期:2016 卷标:20(2) 页码:495-502]
  
  = 92623-85-3 [标题:Reaction Conditions
  标题:Synthesis And Characterization Of Process Related Impurities Of (+/-)-Milnacipran
  作者:Gopal,P. Raja; Prabakar,A. Christy; Chandrashekar,E. R. R.; Bhaskar,B. Vijaya; Somaiah,P. Veera
  参考文献:Journal Of The Chinese Chemical Society (Weinheim 日期:2013 卷标:60(6) 页码:639-644]
  
  = 92623-85-3 [标题:Reaction Conditions
  标题:Preparation Of Milnacipran Hydrochloride And Intermediates Thereof
  作者:Anonymous
  参考文献:Ip.Com Journal 日期:2012 卷标:12

海关参考信息

• 2902600000-乙苯
  2902700000-异丙基苯
  2912110000-甲醛
  2912120000-乙醛
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