Ethyl N-benzoyl-2-methylalaninate

Base Information

• Chemical Name: Ethyl N-benzoyl-2-methylalaninate
• CAS No.: 77919-05-2
• Molecular Formula: C13H17NO3
• Molecular Weight: 235.279
• NSC Number: 85125
• DSSTox Substance ID: DTXSID40292725
• Nikkaji Number: J1.164.350G
• Wikidata: Q82031148
• Mol file: 77919-05-2.mol

Synonyms:77919-05-2;Ethyl N-benzoyl-2-methylalaninate;NSC85125;NCIOpen2_004801;DTXSID40292725;NSC-85125;AKOS040764540

Chemical Property of Ethyl N-benzoyl-2-methylalaninate

Chemical Property:

• Vapor Pressure: 1.52E-06mmHg at 25°C
• Boiling Point: 398°Cat760mmHg
• Flash Point: 194.5°C
• Density: 1.09g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 235.12084340
• Heavy Atom Count: 17
• Complexity: 280

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C)(C)NC(=O)C1=CC=CC=C1

Technology Process of Ethyl N-benzoyl-2-methylalaninate

There total 8 articles about Ethyl N-benzoyl-2-methylalaninate 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: 100.0%

ethyl 2-aminoisobutyrate hydrochloride (17288-15-2) + benzoyl chloride (98-88-4) → 2-Benzoylamino-2-methyl-propionsaeureaethylester (77919-05-2)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1071/CH99012

Reference yield: 96.5%

ethanol (64-17-5) + N-<1-(N,N-Dimethylcarbamoyl)-1-methylethyl>benzamid (54930-66-4) → 2-Benzoylamino-2-methyl-propionsaeureaethylester (77919-05-2)

Guidance literature:

With hydrogenchloride; at 50 ℃; for 0.2h;

DOI:10.1002/hlca.19870700112

Reference yield: 84.5%

4,4-dimethyl-2-phenyl-5-oxazolone (7563-05-5) + ethanol (64-17-5) → 2-Benzoylamino-2-methyl-propionsaeureaethylester (77919-05-2)

Guidance literature:

With hydrogenchloride; for 0.0333333h;

DOI:10.1002/hlca.19870700112

upstream raw materials:

ethanol

N-benzoyl-2-methylalanine

4,4-dimethyl-2-phenyl-5-oxazolone

N-<1-(N,N-Dimethylcarbamoyl)-1-methylethyl>benzamid

Downstream raw materials:

N-(2-hydroxy-1,1-dimethyl-2,2-diphenyl-ethyl)-benzamide

α-(5-phenyl-tetrazol-1-yl)-isobutyric acid ethyl ester

5,5-dimethyl-3-phenyl-4,5-dihydro-1,2,4-triazin-6(1H)-one