N-Benzoyl-beta-alanine Methyl Ester

Base Information

• Chemical Name: N-Benzoyl-beta-alanine Methyl Ester
• CAS No.: 89928-06-3
• Molecular Formula: C11H13NO3
• Molecular Weight: 207.229
• Hs Code.: 2924299090
• Mol file: 89928-06-3.mol

Synonyms:3-benzoylaminopropionic acid methyl ester;

Chemical Property of N-Benzoyl-beta-alanine Methyl Ester

Chemical Property:

• Vapor Pressure: 1.15E-06mmHg at 25°C
• Boiling Point: 401.7°Cat760mmHg
• PKA: 13.78±0.46(Predicted)
• Flash Point: 196.8°C
• PSA: 55.40000
• Density: 1.133g/cm³
• LogP: 1.37040
• Storage Temp.: 2-8°C

Purity/Quality:

98%min ^*data from raw suppliers

N-Benzoyl-beta-alanine methyl ester 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of N-Benzoyl-beta-alanine Methyl Ester

There total 9 articles about N-Benzoyl-beta-alanine Methyl Ester 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: 97.0%

methanol (67-56-1) + N-benzoyl-beta-alanine (3440-28-6) → methyl ester of 3-(N-benzoyl)aminopropionic acid (89928-06-3)

Guidance literature:

With tert.-butylnitrite; at 40 ℃; for 48h; Green chemistry;

DOI:10.1002/ejoc.202100326

Reference yield: 93.0%

methyl 3-aminopropanoate hydrochloride (3196-73-4) + benzoyl chloride (98-88-4) → methyl ester of 3-(N-benzoyl)aminopropionic acid (89928-06-3)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 12h;

Reference yield: 90.0%

benzoyl chloride (98-88-4) + methyl 3-aminopropanoate (4138-35-6) → methyl ester of 3-(N-benzoyl)aminopropionic acid (89928-06-3)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 6h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.orglett.9b01257

upstream raw materials:

methanol

N-benzoyl-beta-alanine

benzoyl chloride

2-phenyl-1,3-oxazoline

Downstream raw materials:

methyl (E)-3-benzamidoacrylate

N-[3-(hydroxyamino)-3-oxopropyl]benzamide

methyl 2-phenyl-1,3-oxazole-5-carboxylate

N-benzoyl-β-alanine-(3,4-dimethoxy-phenethylamide)

Refernces

• 1、 Cheng, Xionglve,Jiang, Gangzhong,Li, Xingxing,Tao, Suyan,Wan, Xiaobing,Zhao, Yanwei,Zheng, Yonggao. "Green Esterification of Carboxylic Acids Promoted by tert-Butyl Nitrite". supporting information. p. 2713 - 2718. Retrieved 2021/06/25.
• 2、 Chen, Ting-Ting,Wang, Ai-E,Huang, Pei-Qiang. "Chemoselective Synthesis of α-Amino-α-cyanophosphonates by Reductive Gem-Cyanation-Phosphonylation of Secondary Amides". supporting information. p. 3808 - 3812. Retrieved 2019/05/24.