Methyl 2-[(4-nitrophenyl)formamido]propanoate

Base Information

• Chemical Name: Methyl 2-[(4-nitrophenyl)formamido]propanoate
• CAS No.: 112173-53-2
• Molecular Formula: C11H12N2O5
• Molecular Weight: 252.227
• DSSTox Substance ID: DTXSID601284015
• Nikkaji Number: J1.754.358J
• Mol file: 112173-53-2.mol

Synonyms:METHYL 2-[(4-NITROPHENYL)FORMAMIDO]PROPANOATE;Oprea1_385307;112173-53-2;DTXSID601284015;AKOS001604532;AKOS016042444;N-(4-Nitrobenzoyl)alanine methyl ester;SR-01000078822;SR-01000078822-1

Chemical Property of Methyl 2-[(4-nitrophenyl)formamido]propanoate

Chemical Property:

• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 252.07462149
• Heavy Atom Count: 18
• Complexity: 331

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C(=O)OC)NC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Technology Process of Methyl 2-[(4-nitrophenyl)formamido]propanoate

There total 3 articles about Methyl 2-[(4-nitrophenyl)formamido]propanoate 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: 83.0%

methanol (67-56-1) + 2-(4-Nitro-benzoylamino)-propionic acid isopropyl ester (86323-30-0) → N-(p-Nitrobenzoyl)-O-methylalanin (112173-53-2)

Guidance literature:

With ammonium cerium(IV) nitrate; at 20 ℃; for 336h;

DOI:10.1081/SCC-120004264

Reference yield:

alanine hydrochloride (25616-13-1) + 4-nitro-benzoyl chloride (122-04-3) → N-(p-Nitrobenzoyl)-O-methylalanin (112173-53-2)

Guidance literature:

With triethylamine; In chloroform; for 2h; Ambient temperature;

DOI:10.1016/S0040-4020(01)80034-X

Reference yield:

rac-Ala-OMe (7625-53-8,10065-72-2,21705-13-5) + 4-nitro-benzoyl chloride (122-04-3) → N-(p-Nitrobenzoyl)-O-methylalanin (112173-53-2)

Guidance literature:

In chloroform;

DOI:10.1135/cccc19980085

upstream raw materials:

alanine hydrochloride

4-nitro-benzoyl chloride

rac-Ala-OMe

methanol

Downstream raw materials:

α-methoxy-N-(4-nitrobenzoyl)-alanine methyl ester