(S)-3-Amino-4-phenylbutyric acid hydrochloride

Base Information

• Chemical Name: (S)-3-Amino-4-phenylbutyric acid hydrochloride
• CAS No.: 138165-77-2
• Molecular Formula: C₁₀H₁₃NO₂*ClH
• Molecular Weight: 215.68
• Hs Code.: 2922499990
• European Community (EC) Number: 868-227-5
• DSSTox Substance ID: DTXSID70375818
• Mol file: 138165-77-2.mol

Synonyms:138165-77-2;(S)-3-Amino-4-phenylbutyric acid hydrochloride;L-beta-Homophenylalanine hydrochloride;(S)-3-amino-4-phenylbutanoic acid hydrochloride;H-|A-HoPhe-OH.HCl;H-beta-HoPhe-OH.HCl;(3S)-3-amino-4-phenylbutanoic acid hydrochloride;L-Beta-homophenylalanine, HCl;H-L-beta-HPhe-OH*HCl;(3S)-3-amino-4-phenylbutanoic acid;hydrochloride;(S)-3-AMINO-4-PHENYLBUTANOIC ACID HCL;MFCD01862875;L-beta-Homophenylalanine HCl;H-Phe-(C#CH2)OH.HCl;DTXSID70375818;Benzenebutanoic acid, beta-amino-, hydrochloride (1:1), (betaS)-;AKOS015849454;CS-W013167;DS-1092;HY-W012451;EN300-6497984;A807345;L-beta-Homophenylalanine hydrochloride, >=98.0%;J-007103;J-502210;J-521634;(3S)-3-Amino-4-phenylbutanoic acid hydrochloride (1:1);(3S)-3-Amino-4-phenylbutanoic acid--hydrogen chloride (1/1)

Chemical Property of (S)-3-Amino-4-phenylbutyric acid hydrochloride

Chemical Property:

• Vapor Pressure: 8.49E-06mmHg at 25°C
• Boiling Point: 329.5 °C at 760 mmHg
• Flash Point: 153.1 °C
• PSA: 63.32000
• LogP: 2.53340
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 215.0713064
• Heavy Atom Count: 14
• Complexity: 164

Purity/Quality:

98%,99%, ^*data from raw suppliers

L-beta-Homophenylalanine hydrochloride ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(CC(=O)O)N.Cl
• Isomeric SMILES: C1=CC=C(C=C1)C[C@@H](CC(=O)O)N.Cl

Technology Process of (S)-3-Amino-4-phenylbutyric acid hydrochloride

There total 2 articles about (S)-3-Amino-4-phenylbutyric acid hydrochloride 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:

(S)-3-amino-4-phenylbutanoic acid (820223-86-7) → (S)-3-amino-4-phenylbutanoic acid hydrochloride (138165-77-2,460039-42-3)

Guidance literature:

With hydrogenchloride; water; for 7h; optical yield given as %ee; Reflux;

DOI:10.1039/b920731g

Reference yield:

→ (S)-3-amino-4-phenylbutanoic acid hydrochloride (138165-77-2,460039-42-3)

Guidance literature:

Reference yield:

(S)-3-amino-4-phenylbutanoic acid hydrochloride (138165-77-2,460039-42-3) → N-(3α-hydroxy-5β-cholan-24-oyl)-L-β-homophenylalanine

Guidance literature:

Multi-step reaction with 3 steps

1: acetyl chloride / 0 °C / Inert atmosphere; Reflux

2: 4-methyl-morpholine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 20 °C / Inert atmosphere

3: sodium hydroxide / ethanol / 1 h / 20 °C / Inert atmosphere

With 4-methyl-morpholine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; acetyl chloride; sodium hydroxide; In ethanol; dichloromethane;

DOI:10.1021/acs.jmedchem.6b01642

upstream raw materials:

(S)-3-amino-4-phenylbutanoic acid

Downstream raw materials:

homo-β-phenylalanine methyl ester

Refernces

• 1、 -. "3,3,3-TRIFLUORO-2-MERCAPTOMETHYL-N-TETRAZOLYL SUBSTITUTED PROPANAMIDES AND METHOD OF USING SAME". . . Retrieved 2008/06/13.