CAS: 93413-69-5; Venlafaxine

• 英文名称Venlafaxine
• 中文名称文拉法辛
• IUPAC名称1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
• 其它别名[2-Dimethylamino-1-(4-methoxyphenyl)-ethyl]cyclohexan-1-ol
• CAS编号93413-69-5
• MFCD编号:MFCD00864385
• EINECS号:618-944-2
• FDA UNII编号:GRZ5RCB1QG
• 分子式:C17H27NO2
• 分子量:277.4
• 产品CID: 1973408
• 产品分类原料药 → 神经系统用药 → 抗抑郁、躁狂药

• 相似结构搜索
• InChIKey: PNVNVHUZROJLTJ-UHFFFAOYNA-N
• InChI=1/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3…
• 计算化学: 氢键受体数3.0氢键供体数1.0可旋转键数5.0

物理性质

• 熔点72-74 °C
• 沸点397.6±27.0 °C at 760 mmHg
• 闪点194.2±23.7 °C
• 密度1.1±0.1 g/cm3
• pKa:pKa 9.5 (Uncertain)
• PSA:32.7
• LogP:2.91
• 折射率1.544
• 蒸汽压0.0±1.0 mmHg at 25°C
• 溶解性Soluble In Dichloromethane, Ethyl Acetate
• 外观形态白色至类白色结晶
• 储存条件请置于阴暗处, 惰性气氛中,2-8°C
• 产品应用文拉法辛(93413-69-5)的用途:该药能同时抑制5-羟色胺和去甲肾上腺素的回收.用于抗抑郁.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别急性毒性 类别4(经口)
• 警示词Warning(警告)
• 危险描述H302 |吞咽有害.
• 防范说明P264-P270-P301+P312-P330-P501
• 危险品标志Xn
• 安全声明S37/39-S26
• 危险类别码R20/22,.R20/22,R36/37/38

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 Venlafaxine 主要起始原料 Formaldehyde And Formic Acid And 2-(1-Hydroxycyclohexyl)-2-(4-Methoxyphenyl)Acetonitrile
• 93413-77-5 = 93413-69-5
  反应条件:1.1 Solvents: Water; 10 Min,Rt1.2 Ph 7,Rt; 10 Min,Rt1.3 Rt; 10 Min,Rt; Rt -> 60 °C; 3 - 4 H,60 °C; 60 °C -> 100 °C; 95 - 100 °C; 100 °C -> 20 °C1.4 Reagents: Sodium Hydroxide Solvents: Water; Ph 10 - 13
  标题:A Process For The Preparation Of Venlafaxine
  参考文献:India]
  
  99300-78-4 = 93413-69-5
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water; > 1 Min,Rt
  标题:Efficient Resolution Of Venlafaxine And Mechanism Study Via X-Ray Crystallography
  作者:Liu,Zhi-Jin; Liu,Han; Chen,Xuan-Wen; Lin,Min; Hu,Yu; Et Al
  参考文献:Chirality 日期:2018 卷标:30(3) 页码:268-274]
  
  99300-78-4 = 93413-69-5
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Dichloromethane,Water; 1 H,10 °C
  标题:Preparation And Formulation Of O-Desmethyl Venlafaxine Enantiomers
  参考文献:World Intellectual Property Organization]
  
  93413-77-5 = 93413-69-5
  反应条件:1.1 Reagents: Formic Acid Solvents: Water; 20 H,Reflux; Reflux -> Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 2,Rt1.3 Reagents: Sodium Hydroxide Solvents: Water; Basified,Cooled
  标题:Preparation Of (-)-Venlafaxine And Derivatives As Neuronal Monoamine Reuptake Inhibitors.
  参考文献:World Intellectual Property Organization]
  
  1094598-37-4 = 93413-69-5
  反应条件:1.1 Catalysts: Nickel Solvents: Water; 10 Min,60 °C1.2 Reagents: Sodium Borohydride; 15 - 20 Min,60 °C; 1.5 H,60 °C
  标题:A Chemoselective Deoxygenation Of N-Oxides By Sodium Borohydride-Raney Nickel In Water
  作者:Gowda,Narendra B.; Rao,Gopal Krishna; Ramakrishna,Ramesha A.
  参考文献:Tetrahedron Letters 日期:2010 卷标:51(43) 页码:5690-5693]
  
  1714141-74-8 = 93413-69-5
  反应条件:1.1 Reagents: Magnesium Solvents: Tetrahydrofuran; Heated1.2 Catalysts: Cuprous Iodide; 15 Min1.3 Solvents: Tetrahydrofuran; -40 °C; 4 H,-40 °C1.4 Reagents: Ammonium Chloride Solvents: Water
  标题:A Process For The Preparation Of Venlafaxine
  参考文献:World Intellectual Property Organization]
  
  93413-77-5 = 93413-69-5
  反应条件:1.1 Reagents: Formic Acid,Triethylamine Catalysts: Cobalt Oxide (Co3O4) (On Nitrogen Doped Graphene (Carbon)) Solvents: Tert-Butanol,Water; 14 H,100 °C
  标题:Expedient Synthesis Of N-Methyl- And N-Alkylamines By Reductive Amination Using Reusable Cobalt Oxide Nanoparticles
  作者:Senthamarai,Thirusangumurugan; Murugesan,Kathiravan; Natte,Kishore; Kalevaru,Narayana V.; Neumann,Helfried; Et Al
  参考文献:Chemcatchem 日期:2018 卷标:10(6) 页码:1235-1240]
  
  93413-77-5 = 93413-69-5
  反应条件:1.1 Reagents: Hydrogen Catalysts: Cobalt Solvents: Tetrahydrofuran,Water; 24 H,40 Bar,120 °C
  标题:Mof-Derived Cobalt Nanoparticles Catalyze A General Synthesis Of Amines
  作者:Jagadeesh,Rajenahally V.; Murugesan,Kathiravan; Alshammari,Ahmad S.; Neumann,Helfried; Pohl,Marga-Martina; Et Al
  参考文献:Science (Washington 日期:2017 卷标:358(6361) 页码:326-332]
  
  = 93413-69-5
  反应条件:1.1 Reagents: Potassium Borohydride Solvents: Methanol; Rt -> 0 °C; 0 - 5 °C; 5 °C -> Rt; 3 - 4 H,Rt1.2 Reagents: Sodium Hydroxide Solvents: Water
  标题:Preparation Of Venlafaxine From 4-Methoxyphenylacetonitrile
  参考文献:China]
  
  93413-77-5 = 93413-69-5
  反应条件:1.1 Reagents: Formic Acid Solvents: Water; Rt -> 98 °C; 20 H,98 °C; 98 °C -> 10 °C1.2 Reagents: Sodium Hydroxide Solvents: Ethyl Acetate,Water; Ph 71.3 Reagents: Ammonium Hydroxide Solvents: Water; Ph 10 - 10.51.4 Reagents: Hydrochloric Acid Solvents: Isopropanol; Ph 1 - 1.5,30 °C; 30 °C -> 60 °C; 60 - 90 Min,60 °C; 60 °C -> 10 °C; 60 Min,10 °C
  标题:A Process For The Preparation Of Venlafaxine And Intermediates Thereof
  参考文献:India]
  
  93413-77-5 = 93413-69-5
  反应条件:1.1 Solvents: Water
  标题:2-Phenyl-2-(1-Hydroxycycloalkyl)Ethylamine Derivatives: Synthesis And Antidepressant Activity
  作者:Yardley,John P.; Husbands,G. E. Morris; Stack,Gary; Butch,Jacqueline; Bicksler,James; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:1990 卷标:33(10) 页码:2899-905]
  
  99300-78-4 = 93413-69-5
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Dichloromethane,Water; 1 H,10 °C
  标题:Preparation And Pharmaceutical Formulation Of Enantiomers Of O-Desmethyl Venlafaxine
  参考文献:United States]
  
  93413-76-4 = 93413-69-5
  反应条件:1.1 Reagents: Acetic Acid Catalysts: Palladium Solvents: Water; 30 Min,Rt -> 5 °C1.2 Reagents: Hydrogen; 3.5 H,12 Bar,5 - 15 °C1.3 15 °C -> 60 °C; 30 - 35 °C
  标题:Preparation Of Venlafaxine And Its Derivatives By In Situ Or One-Pot Method For Hydrogenation Of Nitriles And Reductive Amination Of Formaldehyde And Its Equivalents
  参考文献:World Intellectual Property Organization]
  
  93413-77-5 = 93413-69-5
  反应条件:1.1 Reagents: Formic Acid Solvents: Water; 20 H,Reflux; Reflux -> Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 2,Rt1.3 Reagents: Sodium Hydroxide Solvents: Water; Basified,Cooled
  标题:Preparation Of Derivatives Of Venlafaxine And Their Inhibition Of Neuronal Monoamine Reuptake
  参考文献:World Intellectual Property Organization]
  
  93413-77-5 = 93413-69-5
  反应条件:1.1 Reagents: Formic Acid Solvents: Water; 20 H,Reflux; Reflux -> Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 2,Rt1.3 Reagents: Sodium Hydroxide Solvents: Water; Basified,Cooled
  标题:Preparation Of Derivatives Of (+)-Venlafaxine As Inhibitors Of Neuronal Monoamine Reuptake.
  参考文献:World Intellectual Property Organization]
  
  93413-77-5 = 93413-69-5
  反应条件:1.1 Reagents: Sodium Hydroxide Catalysts: Alumina (10 Wt% Cu And 5 Wt% Co) Solvents: Methanol; 4 H,190 °C
  标题:Tunable Mono- And Di-Methylation Of Amines With Methanol Over Bimetallic Cuco Nanoparticle Catalysts
  作者:Li,Ke-Ming; Zhang,Qi; Xu,Zhong-Ming; Chen,Ran; Liu,Tian-Tian; Et Al
  参考文献:Green Chemistry 日期:2022 卷标:24(15) 页码:5965-5977]
  
  93413-77-5 = 93413-69-5
  反应条件:1.1 Catalysts: Vitride Solvents: Tetrahydrofuran; 0 °C; 6 H,Rt1.2 Reagents: Ammonium Chloride Solvents: Water; 0 °C
  标题:Method Of Preparation Venlafaxine And Its Salts As Antidepressant
  参考文献:China]
  
  93413-77-5 = 93413-69-5
  反应条件:1.1 Solvents: 1,4-Dioxane,Water; 5 Min,Rt; Rt; 90 - 92 °C
  标题:Process For Preparation Of Venlafaxine And Intermediates
  参考文献:World Intellectual Property Organization]
  
  93413-77-5 = 93413-69-5
  反应条件:1.1 Reagents: Sodium Carbonate Catalysts: Iron Solvents: Dimethyl Sulfoxide,Water; 24 H,130 °C
  标题:Convenient Iron-Catalyzed Reductive Aminations Without Hydrogen For Selective Synthesis Of N-Methylamines
  作者:Natte,Kishore; Neumann,Helfried; Jagadeesh,Rajenahally V.; Beller,Matthias
  参考文献:Nature Communications 日期:2017 卷标:8(1) 页码:1-9]
  
  295366-48-2 = 93413-69-5
  反应条件:1.1 Reagents: Sodium Borohydride Solvents: Tetrahydrofuran; 30 Min,Rt1.2 Reagents: Chlorotrimethylsilane; Rt; 3 H,Reflux1.3 Reagents: Acetic Acid Solvents: Water
  标题:Process For Preparation Of Venlafaxine Hydrochloride For Use In Medicine Field
  参考文献:China

海关参考信息

• 2902600000-乙苯
  2902700000-异丙基苯
  2905122000-异丙醇
  2905143000-叔丁醇
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