N-formylphenylalanine methyl ester

Base Information

• Chemical Name: N-formylphenylalanine methyl ester
• CAS No.: 2311-21-9
• Molecular Formula: C11H13 N O3
• Molecular Weight: 207.229
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID90426831
• Nikkaji Number: J615.490E
• Wikidata: Q82239631
• Mol file: 2311-21-9.mol

Synonyms:2311-21-9;N-formylphenylalanine methyl ester;For-Phe-OMe;METHYL (2S)-2-FORMAMIDO-3-PHENYLPROPANOATE;N-Formyl-L-phenylalanine methyl ester;Formyl-L-phenylalanine methyl ester;SCHEMBL1274700;DTXSID90426831;OPHMCBWUQRAKEO-JTQLQIEISA-N;MFCD00153453;(S)-Methyl2-formamido-3-phenylpropanoate;(S)-Methyl 2-formamido-3-phenylpropanoate

Chemical Property of N-formylphenylalanine methyl ester

Chemical Property:

• PSA: 55.40000
• LogP: 1.54350
• Storage Temp.: 2-8°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 207.08954328
• Heavy Atom Count: 15
• Complexity: 212

Purity/Quality:

99% ^*data from raw suppliers

For-Phe-OMe ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(CC1=CC=CC=C1)NC=O
• Isomeric SMILES: COC(=O)[C@H](CC1=CC=CC=C1)NC=O

Technology Process of N-formylphenylalanine methyl ester

There total 17 articles about N-formylphenylalanine 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: 99.0%

→ N-formyl-L-phenylalanine-methylester (2311-21-9)

Guidance literature:

Reference yield: 98.0%

methyl (2S)-2-amino-3-phenylpropanoate (2577-90-4) + formamide (77287-34-4,77287-35-5,60100-09-6) → N-formyl-L-phenylalanine-methylester (2311-21-9)

Guidance literature:

formamide; With bis(2-chlorophenyl)borinic acid; acetic acid; at 45 ℃; for 0.25h; Sealed tube;

methyl (2S)-2-amino-3-phenylpropanoate; at 45 ℃; for 24h; Sealed tube;

DOI:10.1002/chem.201600234

Reference yield: 96.6%

methyl (2S)-2-amino-3-phenylpropanoate hydrochloride (7524-50-7) + formic acid ethyl ester (109-94-4) → N-formyl-L-phenylalanine-methylester (2311-21-9)

Guidance literature:

With toluene-4-sulfonic acid;

upstream raw materials:

formic acid

methyl (2S)-2-amino-3-phenylpropanoate

methyl (2S)-2-amino-3-phenylpropanoate hydrochloride

(S)-3-Phenyl-2-(2,2,2-trichloro-1-hydroxy-ethylamino)-propionic acid methyl ester

Downstream raw materials:

For-Phe-Leu-NH₂

(S)-methyl 2-isoselenocyanato-3-phenylpropanoate

(S)-methyl 2-(3-cyclohexylselenoureido)-3-phenylpropanoate

C₁₇H₁₈N₂O₂Se