3-(Benzoylamino)-2-methylpropionic acid

Base Information

• Chemical Name: 3-(Benzoylamino)-2-methylpropionic acid
• CAS No.: 43218-35-5
• Molecular Formula: C11H13 N O3
• Molecular Weight: 207.229
• Hs Code.: 2924299090
• European Community (EC) Number: 256-147-8
• DSSTox Substance ID: DTXSID10962968
• Nikkaji Number: J319.922C
• Mol file: 43218-35-5.mol

Synonyms:43218-35-5;3-(Benzoylamino)-2-methylpropionic acid;EINECS 256-147-8;3-(BENZOYLAMINO)-2-METHYLPROPANOIC ACID;SCHEMBL8823828;DTXSID10962968;AKOS011971172;Z994989346;3-{[Hydroxy(phenyl)methylidene]amino}-2-methylpropanoic acid

Chemical Property of 3-(Benzoylamino)-2-methylpropionic acid

Chemical Property:

• Vapor Pressure: 2.65E-09mmHg at 25°C
• Boiling Point: 461.2°Cat760mmHg
• Flash Point: 232.7°C
• PSA: 69.89000
• Density: 1.188g/cm³
• LogP: 1.71190
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 207.08954328
• Heavy Atom Count: 15
• Complexity: 234

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(Benzoylamino)-2-methylpropionic acid

There total 5 articles about 3-(Benzoylamino)-2-methylpropionic 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: 27.0%

(RS)-2-(aminomethyl)propanoic acid hydrochloride (28267-25-6,925704-45-6,132605-98-2) + benzoyl chloride (98-88-4) → 3-(benzoylamino)-2-methylpropanoic acid (43218-35-5)

Guidance literature:

With sodium hydroxide; at 20 ℃;

DOI:10.1016/S0957-4166(01)00097-0

Reference yield:

DL-3-aminoisobutyric acid (10569-72-9) + benzoyl chloride (98-88-4) → 3-(benzoylamino)-2-methylpropanoic acid (43218-35-5)

Guidance literature:

With potassium carbonate; In dichloromethane; water; at 20 ℃; for 4h;

DOI:10.1021/jacs.1c00249

Reference yield:

(benzoylamino-methyl)-methyl-malonic acid diethyl ester (102076-62-0) → 3-(benzoylamino)-2-methylpropanoic acid (43218-35-5)

Guidance literature:

With hydrogen bromide;

upstream raw materials:

(benzoylamino-methyl)-methyl-malonic acid diethyl ester

(RS)-2-(aminomethyl)propanoic acid hydrochloride

benzoyl chloride

N-(Dimethylaminomethyl)benzamide

Refernces

• 1、 Saylik, Dilek,Campi, Eva M.,Donohue, Andrew C.,Jackson,Robinson, Andrea J.. "A new enantioselective synthesis of β-amino acids". . p. 657 - 667. Retrieved 2007/10/03.