2-Amino-3-methyl-2-phenylbutanoic acid

Base Information

• Chemical Name: 2-Amino-3-methyl-2-phenylbutanoic acid
• CAS No.: 21883-61-4
• Molecular Formula: C11H15NO2
• Molecular Weight: 193.246
• NSC Number: 51810
• DSSTox Substance ID: DTXSID10944481
• ChEMBL ID: CHEMBL1974978
• Mol file: 21883-61-4.mol

Synonyms:2-amino-3-methyl-2-phenylbutanoic acid;188586-96-1;NSC51810;NSC-51810;SCHEMBL2454501;CHEMBL1974978;DTXSID10944481;XAWIYXBFKANEFM-UHFFFAOYSA-N;2-amino-3-methyl-2-phenylbutanoicacid;AKOS010093979;2-Amino-3-methyl-2-phenyl-butyric acid;NCI60_004255;EN300-192326;Z600432356

Chemical Property of 2-Amino-3-methyl-2-phenylbutanoic acid

Chemical Property:

• Vapor Pressure: 0.000144mmHg at 25°C
• Boiling Point: 319.1°Cat760mmHg
• Flash Point: 146.8°C
• Density: 1.128g/cm³
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 193.110278721
• Heavy Atom Count: 14
• Complexity: 209

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Amino-3-methyl-2-phenylbutanoic acid

There total 7 articles about 2-Amino-3-methyl-2-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: 91.0%

bromobenzene (108-86-1,52753-63-6) + D,L-valine (516-06-3,25609-85-2,7004-03-7,921-10-8) → 2-phenylamino-3-methylbutanoic acid (21883-61-4)

Guidance literature:

With potassium phosphate; copper(l) iodide; 2-(N,N-dimethylamino)ethanol; In water; at 90 ℃; for 46h;

DOI:10.1016/j.tetlet.2005.03.027

Reference yield: 90.0%

N-phenyl-DL-valine methyl ester → 2-phenylamino-3-methylbutanoic acid (21883-61-4)

Guidance literature:

With sodium hydroxide; In methanol; water; for 16h;

DOI:10.1080/00397910903051259

Reference yield: 86.0%

iodobenzene (591-50-4) + D,L-valine (516-06-3,25609-85-2,7004-03-7,921-10-8) → 2-phenylamino-3-methylbutanoic acid (21883-61-4)

Guidance literature:

With potassium phosphate; copper(l) iodide; In N,N-dimethyl-formamide; at 30 - 35 ℃; for 12h;

DOI:10.1055/s-2007-982564

upstream raw materials:

hydrogen cyanide

isobutyraldehyde

aniline

ethyl 2-bromoisovalerate

Downstream raw materials:

N-phenyl-L-valine-L-phenylalanine methyl ester

3'-phenoxybenzyl α-isopropylanilinoacetate

4-isopropyl-2-methyl-2,3-diphenyl-[1,3,2]oxazasilolidin-5-one