Methyl 3-amino-2-phenylpropanoate

Base Information

• Chemical Name: Methyl 3-amino-2-phenylpropanoate
• CAS No.: 99092-02-1
• Molecular Formula: C10H13 N O2
• Molecular Weight: 179.219
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID30396185
• Mol file: 99092-02-1.mol

Synonyms:methyl 3-amino-2-phenylpropanoate;99092-02-1;2-Phenyl-3-aminopropanoic acid methyl ester;2-PHENYL-3-AMINOPROPIONIC ACID METHYL ESTER;SCHEMBL3402990;methyl3-amino-2-phenylpropanoate;DTXSID30396185;AKOS012174695;MB69439;FT-0736489;3-Amino-2-phenyl-propionic acid methyl ester;(S)-METHYL 3-AMINO-2-PHENYLPROPANOATE;EN300-146880;A852344

Chemical Property of Methyl 3-amino-2-phenylpropanoate

Chemical Property:

• Vapor Pressure: 0.00372mmHg at 25°C
• Boiling Point: 281 ºC
• Flash Point: 140 ºC
• PSA: 52.32000
• Density: 1.098
• LogP: 1.60220
• XLogP3: 0.8
• 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:

97% ^*data from raw suppliers

3-AMINO-2-PHENYL-PROPIONIC ACID METHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(CN)C1=CC=CC=C1

Technology Process of Methyl 3-amino-2-phenylpropanoate

There total 6 articles about Methyl 3-amino-2-phenylpropanoate 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:

2-Phenylnitroethane (6125-24-2) + methyl chloroformate (79-22-1) → DL-phenylalanine methyl ester (15028-44-1) + methyl 3-amino-2-phenylpropanoate (99092-02-1)

Guidance literature:

Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1055/s-1986-31497

Reference yield:

2-phenyl-acrylic acid methyl ester (1865-29-8) → methyl 3-amino-2-phenylpropanoate (99092-02-1)

Guidance literature:

With ammonium hydroxide; at 120 ℃; for 1.5h; chemoselective reaction; Microwave irradiation;

DOI:10.1016/j.molcatb.2014.12.009

Reference yield:

(Z)-(1-methoxy-2-phenylvinyloxy)trimethylsilane (32346-07-9) → methyl 3-amino-2-phenylpropanoate (99092-02-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / Me₃SiOSO₂CF₃ / CH₂Cl₂ / Ambient temperature

2: MeOH / Heating

With methanol; trimethylsilyl trifluoromethanesulfonate; In dichloromethane;

DOI:10.1039/c39840000883

upstream raw materials:

3-(1,1,1,3,3,3-Hexamethyl-disilazan-2-yl)-2-phenyl-propionic acid methyl ester

2-Phenylnitroethane

methyl chloroformate

(Z)-(1-methoxy-2-phenylvinyloxy)trimethylsilane

Downstream raw materials:

3-(4-Chloro-benzylamino)-2-phenyl-propionic acid

3-(4-Bromo-benzylamino)-2-phenyl-propionic acid

2-Phenyl-3-(3-trifluoromethyl-benzylamino)-propionic acid

C₁₀H₁₄N₂O