CAS: 82769-76-4; (S)-3-Amino-3-Phenylpropan-1-Ol

• 英文名称(S)-3-Amino-3-Phenylpropan-1-Ol
• 中文名称(S)-3-氨基-3-苯基丙醇
• IUPAC名称(S)-3-amino-3-phenylpropan-1-ol
• 其它别名(S)-β-苯丙氨醇
• CAS编号82769-76-4
• MFCD编号:MFCD01311768
• EINECS号:635-104-0
• 分子式:C9H13NO
• 分子量:151.21
• 产品CID: 1817946
• 产品分类有机原料→分子砌块→芳环类化合物→苯类化合物

• 相似结构搜索
• InChIKey: SEQXIQNPMQTBGN-VIFPVBQESA-N
• InChI=1S/C9H13NO/c10-9(6-7-11)8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/t9-/m0/s1…
• 计算化学: 氢键受体数2.0氢键供体数2.0可旋转键数3.0

物理性质

• 熔点68-69 °C
• 沸点293°C at 760 mmHg
• 闪点131.0±21.8°C
• 密度1.1±0.1 g/cm3
• pKa:14.90±0.10(预测)
• PSA:46.25
• LogP:1.0688
• 折射率1.560
• 蒸汽压0.0±0.6 mmHg at 25°C
• 溶解性Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• 敏感性遵照规定使用和储存则不会分解。
• 外观形态无色或白色粘稠液体或低熔点固体
• 储存条件在惰性气体(氮气或氩气)下 2–8 °C

MSDS等安全信息

• GHS象形图
• GHS符号GHS07 & GHS05;
  注释: Exclamation mark & Corrosion
• 危险类别急性毒性 类别4(经口)
  皮肤腐蚀 类别1B
  皮肤腐蚀 类别1C
  严重眼损伤 类别1
  特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
• 警示词Danger(危险)
• 危险描述H302 |吞咽有害.
  H314 |造成严重皮肤灼伤和眼损伤.
  H318 |造成严重眼损伤.
  H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• 危险等级8
• UN编号1760.0
• 危险品标志C
• 包装等级Ⅲ
• 安全声明45-36/37/39-26
• 危险类别码34

欧盟法规

上下游产品

合成工艺路线路线简述

• 37088-66-7 = 82769-76-4
  反应条件:1.1 Reagents: Lithium Aluminum Hydride Solvents: Tetrahydrofuran; 0 °C; 0 °C -> Rt; 2 H,Rt1.2 Reagents: Sodium Sulfate Solvents: Water; Rt
  标题:Short Enantioselective Routes To (S)-Dapoxetine
  作者:Rapolu,Rajesh Kumar; Et Al
  参考文献:Chemistry & Biology Interface 日期:2013 卷标:3(1) 页码:50-60]
  
  718611-17-7 = 82769-76-4
  反应条件:1.1 Reagents: Trifluoroacetic Acid Solvents: Dichloromethane; 30 Min,0 °C; 0 °C -> Rt; 1.5 H,Rt1.2 Reagents: Triethylamine Solvents: Methanol
  标题:An Efficient Formal Synthesis Of (S)-Dapoxetine From Enantiopure 3-Hydroxy Azetidin-2-One
  作者:Chincholkar,Pinak M.; Et Al
  参考文献:Tetrahedron 日期:2009 卷标:65(12) 页码:2605-2609]
  
  = 82769-76-4
  反应条件:1.1 Reagents: Oxygen Catalysts: Iodine Solvents: Tetrahydrofuran,Water; 50 °C
  标题:Iodine Mediated Deprotection Of N-Tert-Butanesulfinyl Amines: A Functional Group Compatible Method
  作者:Chen,Wen; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2014 卷标:50(47) 页码:6259-6262]
  
  869468-32-6 = 82769-76-4
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethyl Acetate
  标题:Highly Efficient,Enantioselective Syntheses Of (S)-(+)- And (R)-(-)-Dapoxetine Starting With 3-Phenyl-1-Propanol
  作者:Kang,Soyeong; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2010 卷标:75(1) 页码:237-240]
  
  869468-32-6 = 82769-76-4
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethanol; 16 H,Rt
  标题:Syntheses Of A Flobufen Metabolite And Dapoxetine Based On Enantioselective Allylation Of Aromatic Aldehydes
  作者:Hessler,Filip; Et Al
  参考文献:European Journal Of Organic Chemistry 日期:2014 卷标:2014(12) 页码:2543-2548]
  
  126568-44-3 = 82769-76-4
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Water; Overnight,Reflux1.2 Reagents: Sodium Hydroxide Solvents: Water; Basified1.3 Reagents: Lithium Aluminum Hydride Solvents: Tetrahydrofuran; 0 °C; 0 °C -> Rt; Overnight,Reflux1.4 Reagents: Sodium Hydroxide Solvents: Water
  标题:Kinetic And Nmr Spectroscopic Studies Of Chiral Mixed Sodium/lithium Amides Used For The Deprotonation Of Cyclohexene Oxide
  作者:Sott,Richard; Et Al
  参考文献:Chemistry - A European Journal 日期:2005 卷标:11(16) 页码:4785-4792]
  
  40856-44-8 = 82769-76-4
  反应条件:1.1 Reagents: Lithium Aluminum Hydride Solvents: Tetrahydrofuran; 0 °C; 0 °C -> Reflux; 5 H,Reflux; Reflux -> 0 °C1.2 Reagents: Sodium Hydroxide Solvents: Water; 0 °C
  标题:Synthesis Of (S)-Dapoxetine By Biomethod
  作者:Zhang,De-Rong; Et Al
  参考文献:Shengwu Jiagong Guocheng 日期:2010 卷标:8(2) 页码:13-17]
  
  936499-93-3 = 82769-76-4
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water; Basified,Rt
  标题:Preparation Of Enantiomerically Pure (R)- And (S)-3-Amino-3-Phenyl-1-Propanol Via Resolution With Immobilized Penicillin G Acylase
  作者:Fadnavis,Nitin W.; Et Al
  参考文献:Tetrahedron: Asymmetry 日期:2006 卷标:17(2) 页码:240-244]
  
  = 82769-76-4
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Water; 23 H,50 °C1.2 Reagents: Ammonium Hydroxide; Basified
  标题:Lipase-Catalyzed Resolution Of Chiral 1,3-Amino Alcohols: Application In The Asymmetric Synthesis Of (S)-Dapoxetine
  作者:Torre,Oliver; Et Al
  参考文献:Tetrahedron: Asymmetry 日期:2006 卷标:17(5) 页码:860-866]
  
  = 82769-76-4
  反应条件:1.1 Reagents: Tributylstannane Catalysts: Azobisisobutyronitrile Solvents: Toluene; Rt; Rt -> Reflux; 6 H,Reflux1.2 Reagents: Trifluoroacetic Acid Solvents: Tetrahydrofuran; 10 °C; 5 H,Rt1.3 Reagents: Sodium Hydroxide Solvents: Water; 0 °C
  标题:A Stereoselective Synthesis Of (S)-Dapoxetine Starting From Trans-Cinnamyl Alcohol
  作者:Venkatesan,K.; Et Al
  参考文献:Arkivoc (Gainesville 日期:2008 卷标:(16) 页码:302-310]
  
  3082-69-7 = 82769-76-4
  反应条件:1.1 Reagents: Lithium Aluminum Hydride
  标题:High Asymmetric Induction In The 1,3-Dipolar Cycloaddition Of (R)-(+)-P-Tolyl Vinyl Sulfoxide With Acyclic Nitrones
  作者:Koizumi,Toru; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1982 卷标:47(20) 页码:4004-5]
  
  126568-44-3 = 82769-76-4
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Methanol,Water; Rt; 1 H,Rt; 5 H,Rt -> Reflux1.2 Reagents: Triethylamine Solvents: Ethanol; 15 Min2.1 Reagents: Sodium Triacetoxyborohydride Solvents: Tetrahydrofuran; 10 Min,0 °C2.2 Reagents: Boron Trifluoride Etherate; 0 °C; 5 H,0 °C2.3 Reagents: Methanol; 0 °C
  标题:Synthesis Of Dapoxetine
  作者:Ning,Yan-Shi; Et Al
  参考文献:Huaxue Shiji 日期:2015 卷标:37(2) 页码:185-188]
  
  = 82769-76-4
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Ethanol,Water; 18 H,Reflux
  标题:Scope And Computational Insights Into Enantioselective C-H Amination Through Silver-Catalyzed Nitrene Transfer
  作者:Schroeder,Emily Z.; Et Al
  参考文献:Chemrxiv 日期:2023 卷标:1 页码:1-10]
  
  1067647-06-6 = 82769-76-4
  反应条件:1.1 Reagents: Lithium Aluminum Hydride Solvents: Tetrahydrofuran; 0 °C -> Rt; Rt1.2 Reagents: Sodium Sulfate Solvents: Water; 1 H,Rt2.1 Reagents: Trifluoroacetic Acid Solvents: Dichloromethane; 30 Min,0 °C; 0 °C -> Rt; 1.5 H,Rt2.2 Reagents: Triethylamine Solvents: Methanol
  标题:An Efficient Formal Synthesis Of (S)-Dapoxetine From Enantiopure 3-Hydroxy Azetidin-2-One
  作者:Chincholkar,Pinak M.; Et Al
  参考文献:Tetrahedron 日期:2009 卷标:65(12) 页码:2605-2609

海关参考信息

• 2902600000-乙苯
  2905121000-正丙醇
• 💡 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