CAS: 936499-93-3; (S)-3-Amino-3-Phenylpropan-1-Ol Hydrochloride

英文名称(S)-3-Amino-3-Phenylpropan-1-Ol Hydrochloride
中文名称(S)-3-氨基-3-苯基丙-1-醇盐酸盐
IUPAC名称(S)-3-amino-3-phenylpropan-1-ol hydrochloride
其它别名(S)-3-Phenyl-Beta-Alaninol Hcl; (S)-3-Amino-3-Phenyl-Propan-1-Ol Hydrochloride; (Gammas)-Gamma-Aminobenzenepropanol Hydrochloride (1:1); (S)-3-Amino-3-Phenyl-1-Propanol Hydrochloride; (S)-3-Amino-3-Phenylpropan-1-Ol Hcl; (S)-3-Phenyl-Beta-Alaninol Hydrochloride; (3S)-3-Amino-3-Phenylpropan-1-Ol,Hydrochloride
CAS编号936499-93-3
MFCD编号:MFCD09749876
EINECS号:618-962-0
分子式:C9H14ClNO分子量:187.67
产品CID: 1976342
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: VPSAJDGAYRBFPH-FVGYRXGTSA-N
InChI=1S/C9H13NO.ClH/c10-9(6-7-11)8-4-2-1-3-5-8;/h1-5,9,11H,6-7,10H2;1H/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

相似化合物

82769-76-4 14593-04-5 170564-98-4

MSDS等安全信息

危险类别特定目标器官毒性 - 单次接触类别3
皮肤腐蚀/刺激类别2
严重眼刺激类别2A
危险描述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.

欧盟法规

C&L通报REACH预注册

上下游产品

3-[N-(phenylacetyl)amino]-3-phenyl-1-propanol 3-[N-(phenylacetyl)amino]-3-phenyl-1-propanol 3-hydroxy-1-phenylpropan-1-one ethyl 2,4-dioxo-4-phenylbutyrate (S)-tert-butyl 4-(3-hydroxy-1-phenylpropylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate (S)-3-(2-benzothiazolylamino)-3-phenylpropan-1-ol 2-phenyl-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidine (S)-3-(6,6-dimethyl-4,4-dioxo-5-phenyl-5,6-dihydro-4H-4lambda6-[1,4,3]-oxathiazin-2-ylamino)-3-phenylpropan-1-ol

合成工艺路线路线简述

📜3-氨基-3-苯基-1-丙醇置于盐酸,Sodium Hydroxide,Phosphate Buffer,Penicillin G Acylase Immobilized On Epoxy-Resin体系中,用乙醇,水作为反应溶剂,化学反应 5.0H,反应生成 (S)-3-氨基-3-苯基-1-丙醇盐酸盐
参考文献:Preparation Of Enantiomerically Pure (R)-And (S)-3-Amino-3-Phenyl-1-Propanol Via Resolution With Immobilized Penicillin G Acylase
标题:Preparation Of Enantiomerically Pure (R)-And (S)-3-Amino-3-Phenyl-1-Propanol Via Resolution With Immobilized Penicillin G Acylase
摘要:Ethyl 2,4-Dioxo-4-Phenylbutyrate,Obtained By Condensation Of Acetophenone With Diethyl Oxalate,Was Converted To 3-Oxo-3-Phenyl-1-Propanol In 90% Yield By Reaction With Baker'S Yeast. Reductive Amination With Sodium Cyanoborohydride In The Presence Of Ammonium Acetate Gave The Racemic 3-Amino-3-Phenyl-1-Propanol In 65% Yield. Enzymatic Resolution Of The Corresponding N-Phenylacetyl Derivative With Penicillin G Acylase,Immobilized On An Epoxy Resin Gave (S)-Amide And (R)-Amino Alcohol In High Enantiomeric Purity (Ee > 99%) And > 45% Yields For Each Enantiomer. (C) 2006 Elsevier Ltd. All Rights Reserved.
DOI:10.1016/j.Tetasy.2005.12.022