2-Amino-2-methyl-4-phenylbutanoic acid

Base Information

• Chemical Name: 2-Amino-2-methyl-4-phenylbutanoic acid
• CAS No.: 5472-95-7
• Molecular Formula: C11H15 N O2
• Molecular Weight: 193.246
• Hs Code.: 2922499990
• NSC Number: 29628
• Nikkaji Number: J347.996J
• Mol file: 5472-95-7.mol

Synonyms:2-amino-2-methyl-4-phenylbutanoic acid;5472-95-7;4-Phenylisovaline;phenylethanolanine;NSC29628;EC-000.1408;SCHEMBL3616371;NSC-29628;2-amino-2-methyl-4-phenylbutanoicacid;AKOS000168754;AKOS022301852;NCGC00327982-01;EN300-58303;benzenebutanoic acid, alpha-amino-alpha-methyl-;F78792;AB01323954-02

Chemical Property of 2-Amino-2-methyl-4-phenylbutanoic acid

Chemical Property:

• Vapor Pressure: 6.51E-05mmHg at 25°C
• Melting Point: 287.5-290.0 °C (decomp)(bomb tube)
• Boiling Point: 330.8°Cat760mmHg
• PKA: 2.36±0.10(Predicted)
• Flash Point: 153.8°C
• PSA: 63.32000
• Density: 1.135g/cm³
• LogP: 2.12150
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 193.110278721
• Heavy Atom Count: 14
• Complexity: 200

Purity/Quality:

98.5% ^*data from raw suppliers

2-AMINO-2-METHYL-4-PHENYLBUTANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC1=CC=CC=C1)(C(=O)O)N

Technology Process of 2-Amino-2-methyl-4-phenylbutanoic acid

There total 3 articles about 2-Amino-2-methyl-4-phenylbutanoic acid 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:

5-methyl-5-phenethyl-imidazolidine-2,4-dione (5472-90-2,142777-72-8) → 2-amino-2-methyl-4-phenyl-butyric acid (5472-95-7)

Guidance literature:

With sulfuric acid;

DOI:10.1021/jo01081a024

Reference yield:

2-Amino-2-methyl-4-phenylbutanenitrile (96866-55-6) → 2-amino-2-methyl-4-phenyl-butyric acid (5472-95-7)

Guidance literature:

With hydrogenchloride;

Reference yield:

4-Phenyl-2-butanone (2550-26-7) → 2-amino-2-methyl-4-phenyl-butyric acid (5472-95-7)

Guidance literature:

Multi-step reaction with 2 steps

1: alcohol / 80 °C / unter Druck

2: hydrochloric acid

With hydrogenchloride; ethanol;

upstream raw materials:

2-Amino-2-methyl-4-phenylbutanenitrile

5-methyl-5-phenethyl-imidazolidine-2,4-dione

4-Phenyl-2-butanone

Downstream raw materials:

4-Phenyl-2-butanone

2-((S)-2-Chloro-propionylamino)-2-methyl-4-phenyl-butyric acid