3-[(2-Nitrophenyl)amino]propanoic acid

Base Information

• Chemical Name: 3-[(2-Nitrophenyl)amino]propanoic acid
• CAS No.: 38584-58-6
• Molecular Formula: C9H10N2O4
• Molecular Weight: 210.189
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID00389044
• Nikkaji Number: J1.044.253B
• Wikidata: Q82184419
• ChEMBL ID: CHEMBL531387
• Mol file: 38584-58-6.mol

Synonyms:3-[(2-nitrophenyl)amino]propanoic acid;38584-58-6;3-(2-nitroanilino)propanoic acid;3-((2-Nitrophenyl)amino)propanoic acid;GNF-Pf-2187;3-(2-Nitro-phenylamino)-propionic acid;Oprea1_843847;N-carboxyethyl-2-nitroaniline;N- carboxyethyl-2-nitroaniline;CHEMBL531387;SCHEMBL5026709;DTXSID00389044;3-(2-Nitroanilino)propionic acid;WXDJJDQJGGOPIT-UHFFFAOYSA-N;3-(2nitrophenylamino)propionic acid;3-(o-nitro-phenylamino)propionic acid;AKOS000202085;SB79514;BS-28489;CS-0206957;EN300-26757;SR-01000362670;SR-01000362670-1;Z64665540;F1911-3493

Chemical Property of 3-[(2-Nitrophenyl)amino]propanoic acid

Chemical Property:

• PSA: 95.15000
• LogP: 2.07760
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 210.06405680
• Heavy Atom Count: 15
• Complexity: 239

Purity/Quality:

99% ^*data from raw suppliers

3-[(2-nitrophenyl)amino]propanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-[(2-Nitrophenyl)amino]propanoic acid

There total 8 articles about 3-[(2-Nitrophenyl)amino]propanoic acid 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: 95.0%

o-nitrobenzene (33141-24-1) → N-(2-nitrophenyl)-β-alanine (38584-58-6)

Guidance literature:

With sodium hydroxide; In methanol; for 3.5h; Heating;

DOI:10.1021/jm0255769

Reference yield:

glycine ethyl ester hydrochloride (623-33-6) + ortho-nitrofluorobenzene (1493-27-2,127723-77-7) → N-(2-nitrophenyl)-β-alanine (38584-58-6)

Guidance literature:

glycine ethyl ester hydrochloride; ortho-nitrofluorobenzene; With triethylamine; In ethanol; at 20 - 80 ℃; for 48h;

With sodium hydroxide; In diethyl ether; at 20 ℃; for 1h;

Reference yield:

2-nitro-aniline (88-74-4) → N-(2-nitrophenyl)-β-alanine (38584-58-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 79 percent / Triton B / dioxane; methanol / 1 h

2: 95 percent / aq. NaOH / methanol / 3.5 h / Heating

With sodium hydroxide; N-benzyl-trimethylammonium hydroxide; In 1,4-dioxane; methanol; 1: Michael addition;

DOI:10.1021/jm0255769

upstream raw materials:

β-Propiolactone

2-nitro-aniline

o-nitrobenzene

3-amino-propionic acid ethyl ester

Downstream raw materials:

3-(1-benzimidazolonyl)propanoic acid

N-benzyl-N-methyl-3-(2-nitro-phenylamino)-propionamide

2-(4-cyclopropylaminocarbonyl-phenyl)-4,5-dihydro-imidazo[4,5,1-ij]quinolin-6-one

2-(4-methoxycarbonyl-phenyl)-4,5-dihydro-imidazo[4,5,1-ij]quinolin-6-one

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