2-Anilinopropanoic acid methyl ester

Base Information

• Chemical Name: 2-Anilinopropanoic acid methyl ester
• CAS No.: 709-80-8
• Molecular Formula: C10H13NO2
• Molecular Weight: 179.219
• DSSTox Substance ID: DTXSID701309319
• Nikkaji Number: J814.211D
• Mol file: 709-80-8.mol

Synonyms:methyl N-phenylalaninate;n-phenylalanine methyl ester;709-80-8;SCHEMBL4681333;DTXSID701309319;2-Anilinopropanoic acid methyl ester;AKOS001586763;N-[1-(methoxycarbon-yl)ethyl]aniline;METHYL 2-(PHENYLAMINO)PROPANOATE;BB 0258911;EU-0034433;EN300-8054435;SR-01000397168;SR-01000397168-1

Chemical Property of 2-Anilinopropanoic acid methyl ester

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 179.094628657
• Heavy Atom Count: 13
• Complexity: 164

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C(=O)OC)NC1=CC=CC=C1

Technology Process of 2-Anilinopropanoic acid methyl ester

There total 16 articles about 2-Anilinopropanoic acid 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: 98.0%

Methyl 2-bromopropionate (5445-17-0) + aniline (62-53-3) → methyl N-(2, 6-dimethylphenyl)alaninate (709-80-8)

Guidance literature:

With sodium acetate; In methanol; at 80 ℃; for 18h;

Reference yield: 94.0%

methyl 2-diazopropanoate (34757-14-7) + aniline (62-53-3) → methyl N-(2, 6-dimethylphenyl)alaninate (709-80-8)

Guidance literature:

With rhodium (II) octanoate dimer; In dichloromethane; at 20 ℃; for 18h;

DOI:10.1002/chem.201101590

Reference yield: 78.0%

pyruvic acid methyl ester (600-22-6) + aniline (62-53-3) → methyl N-(2, 6-dimethylphenyl)alaninate (709-80-8)

Guidance literature:

With hydrogen; sodium sulfate; palladium on activated charcoal; In cyclohexane; under 37503 Torr; Ambient temperature;

DOI:10.1016/0040-4020(96)00503-0

upstream raw materials:

2-chloro-propionic acid methyl ester

aniline

pyruvic acid methyl ester

[1,3]-dioxolan-2-one

Downstream raw materials:

2-anilino-1-propanol

N-Phenylalanin

α-(2,6-dichloroanilino)-propionic acid methyl ester

trans-2-methyl-N-phenyl-1,2,3,4-tetrahydroquinolin-4-amine

Refernces

• 1、 -. "ADDITIVE COMPOSITION FOR CULTURE MEDIUM, ADDITIVE COMPOUND FOR CULTURE MEDIUM, AND METHOD FOR CULTURE OF CELLS OR TISSUE USING SAME". Paragraph 0158-0159. . Retrieved 2020/06/15.
• 2、 Cao, Xiufang,Huang, Daye,Huang, Wenbo,Ke, Shaoyong,Song, Di,Wang, Shuangshuang. "Discovery of γ-Lactam alkaloid derivatives as potential fungicidal agents targeting steroid biosynthesis". . p. 14438 - 14451. Retrieved 2020/12/23.