Benzenepropanamide, alpha-amino-4-nitro-, (alphaS)-

Base Information

Chemical Name:Benzenepropanamide, alpha-amino-4-nitro-, (alphaS)-
CAS No.:81677-61-4
Molecular Formula:C₉H₁₁N₃O₃
Molecular Weight:209.205
Hs Code.:
DSSTox Substance ID:DTXSID501282709
Wikidata:Q76416439

Synonyms:81677-61-4;(2S)-2-amino-3-(4-nitrophenyl)propanamide;Benzenepropanamide, alpha-amino-4-nitro-, (alphaS)-;(alphaS)-alpha-Amino-4-nitrobenzenepropanamide;p-nitrophenylalanine amide;4-nitro-l-phenylalanine amide;SCHEMBL4363557;GZVVTACFGLQAFF-QMMMGPOBSA-N;DTXSID501282709;Discontinued. Please see K165301

Suppliers and Price of Benzenepropanamide, alpha-amino-4-nitro-, (alphaS)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 3 raw suppliers

Chemical Property of Benzenepropanamide, alpha-amino-4-nitro-, (alphaS)-

Chemical Property:

XLogP3:0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:209.08004122
Heavy Atom Count:15
Complexity:244

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=CC=C1CC(C(=O)N)N)[N+](=O)[O-]
Isomeric SMILES:C1=CC(=CC=C1C[C@@H](C(=O)N)N)[N+](=O)[O-]

Technology Process of Benzenepropanamide, alpha-amino-4-nitro-, (alphaS)-

There total 7 articles about Benzenepropanamide, alpha-amino-4-nitro-, (alphaS)- 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: 92.0%

: 81677-60-3
(L)-p-Nitrophenylalanine methyl ester

: 81677-61-4
(2S)-2-amino-3-(4-nitrophenyl)propanamide

Guidance literature:: With ammonia; In methanol; at 0 - 5 ℃; for 24h;
DOI:10.1039/b300621m

Reference yield:

: 17193-40-7
(S)-4-nitrophenylalanine methyl ester hydrochloride

: 81677-61-4
(2S)-2-amino-3-(4-nitrophenyl)propanamide

Guidance literature:: With ammonium hydroxide; triethylamine; In methanol; water; at 20 ℃; for 15h;

Reference yield:

: 949-99-5
4-nitro-3-phenyl-L-alanine

: 81677-61-4
(2S)-2-amino-3-(4-nitrophenyl)propanamide

Guidance literature:: Multi-step reaction with 2 steps

1: SOCl₂ / 42 h / 0 - 20 °C

2: NH₃; Et₃N / methanol

With thionyl chloride; ammonia; triethylamine; In methanol;
DOI:10.1021/ol051684o