(S)-3-PHENYL-BETA-ALANINOL HCL

Base Information

• Chemical Name: (S)-3-PHENYL-BETA-ALANINOL HCL
• CAS No.: 936499-93-3
• Molecular Formula: C9H14ClNO
• Molecular Weight: 187.669
• Hs Code.: 2922199090
• Mol file: 936499-93-3.mol

Synonyms:(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

Chemical Property of (S)-3-PHENYL-BETA-ALANINOL HCL

Chemical Property:

• PSA: 46.25000
• LogP: 2.57110

Purity/Quality:

99.5% ^*data from raw suppliers

(S)-3-Amino-2-phenylpropan-1-olhydrochloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of (S)-3-PHENYL-BETA-ALANINOL HCL

There total 6 articles about (S)-3-PHENYL-BETA-ALANINOL HCL which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

3-[N-(phenylacetyl)amino]-3-phenyl-1-propanol (881853-41-4) → (S)-3-amino-3-phenyl-1-propanol hydrochloride (936499-93-3,936499-92-2)

Guidance literature:

With hydrogenchloride; Heating;

DOI:10.1016/j.tetasy.2005.12.022

Reference yield:

C21H27NO5Si → (S)-3-amino-3-phenyl-1-propanol hydrochloride (936499-93-3,936499-92-2)

Guidance literature:

C₂₁H₂₇NO₅Si; With hydroxylamine hydrochloride; In tetrahydrofuran; methanol; at 0 ℃; for 0.5h;

With hydrogenchloride; In methanol; water; at 20 ℃; for 3h;

DOI:10.1021/jacs.8b10564

Reference yield:

3-[N-(phenylacetyl)amino]-3-phenyl-1-propanol (406468-05-1) → (S)-3-amino-3-phenyl-1-propanol hydrochloride (936499-93-3,936499-92-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 47.5 percent / penicillin G acylase immobilized on epoxy-resin; phosphate buffer / ethanol; H₂O / 1 h / 25 °C / pH 7.5

2: 100 percent / aq. HCl / Heating

With hydrogenchloride; phosphate buffer; penicillin G acylase immobilized on epoxy-resin; In ethanol; water;

DOI:10.1016/j.tetasy.2005.12.022

upstream raw materials:

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

Downstream raw materials:

S-(3-hydroxy-1-phenyl-propyl)-carbamic acid tert-butyl ester

methanesulfonic acid (S)-3-tert-butoxycarbonylamino-3-phenylpropyl ester

(S)-4-amino-4-phenylbutan-1-ol

((S)-3-cyano-1-phenylpropyl)carbamic acid tert-butyl ester

Refernces

• 1、 Fadnavis, Nitin W.,Radhika, Kasiraman R.,Vedamayee Devi. "Preparation of enantiomerically pure (R)- and (S)-3-amino-3-phenyl-1- propanol via resolution with immobilized penicillin G acylase". . p. 240 - 244. Retrieved 2007/10/03.