(S)-3-AMINO-4-(4-METHYLPHENYL)BUTANOIC ACID HYDROCHLORIDE

Base Information

• Chemical Name: (S)-3-AMINO-4-(4-METHYLPHENYL)BUTANOIC ACID HYDROCHLORIDE
• CAS No.: 270062-95-8
• Molecular Formula: C₁₁H₁₅NO₂
• Molecular Weight: 193.246
• Mol file: 270062-95-8.mol

Synonyms:(S)-3-Amino-4-(4-methylphenyl)butanoicacid;

Chemical Property of (S)-3-AMINO-4-(4-METHYLPHENYL)BUTANOIC ACID HYDROCHLORIDE

Chemical Property:

• Vapor Pressure: 2.38E-05mmHg at 25°C
• Boiling Point: 345.2oC at 760 mmHg
• Flash Point: 162.6°C
• PSA: 63.32000
• LogP: 2.84180
• Storage Temp.: 2-8°C
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 193.110278721
• Heavy Atom Count: 14
• Complexity: 180

Purity/Quality:

98%min ^*data from raw suppliers

4-Methyl-L-beta-homophenylalanine hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)CC(CC(=O)[O-])[NH3+]
• Isomeric SMILES: CC1=CC=C(C=C1)C[C@@H](CC(=O)[O-])[NH3+]
• Uses: (S)-3-Amino-4-(4-methylphenyl)butanoic acid, HCl

Technology Process of (S)-3-AMINO-4-(4-METHYLPHENYL)BUTANOIC ACID HYDROCHLORIDE

There total 5 articles about (S)-3-AMINO-4-(4-METHYLPHENYL)BUTANOIC 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: 95.0%

methyl (R)-3-benzoylamino-4-p-tolylbutanoate → (R)-3-amino-4-p-tolylbutanoic acid (270062-95-8)

Guidance literature:

With hydrogenchloride; In water; for 3h; Reflux;

Reference yield: 67.0%

((S)-2-Oxo-5-p-tolyl-oxazolidin-4-yl)-acetic acid → (R)-3-amino-4-p-tolylbutanoic acid (270062-95-8)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; at 25 ℃; for 1h; under 760 Torr;

DOI:10.1016/0040-4039(96)00518-7

Reference yield:

(S)-4-(2-Hydroxy-ethyl)-5-p-tolyl-oxazolidin-2-one → (R)-3-amino-4-p-tolylbutanoic acid (270062-95-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 72 percent / 6 molpercent RuCl₃*xH₂O, NaIO₄ / acetonitrile; CCl₄; H₂O / 1 h / 25 °C

2: 67 percent / H₂ / Pd/C / methanol / 1 h / 25 °C / 760 Torr

With ruthenium trichloride; sodium periodate; hydrogen; palladium on activated charcoal; In methanol; tetrachloromethane; water; acetonitrile;

DOI:10.1016/0040-4039(96)00518-7

upstream raw materials:

Methyl 3-keto-4-(4'-methylphenyl)butanoate

Refernces

• 1、 Seki, Masahiko,Matsumoto, Kazuo. "A novel approach to homochiral β-amino acids 1". . p. 3165 - 3168. Retrieved 2007/10/03.