N-(2-Amino-4-nitrophenyl)acetamide

Base Information

• Chemical Name: N-(2-Amino-4-nitrophenyl)acetamide
• CAS No.: 53987-32-9
• Molecular Formula: C8H9 N3 O3
• Molecular Weight: 195.178
• Hs Code.: 2924299090
• European Community (EC) Number: 258-900-6
• DSSTox Substance ID: DTXSID2068896
• Nikkaji Number: J89.832E
• Wikidata: Q81995660
• Mol file: 53987-32-9.mol

Synonyms:N-(2-Amino-4-nitrophenyl)acetamide;53987-32-9;EINECS 258-900-6;Acetamide, N-(2-amino-4-nitrophenyl)-;SCHEMBL6354542;DTXSID2068896

Chemical Property of N-(2-Amino-4-nitrophenyl)acetamide

Chemical Property:

• Vapor Pressure: 3.33E-09mmHg at 25°C
• Boiling Point: 475.4°Cat760mmHg
• Flash Point: 241.3°C
• PSA: 104.43000
• Density: 1.428g/cm³
• LogP: 2.88930
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 195.06439116
• Heavy Atom Count: 14
• Complexity: 239

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])N

Technology Process of N-(2-Amino-4-nitrophenyl)acetamide

There total 4 articles about N-(2-Amino-4-nitrophenyl)acetamide 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: 82.0%

2,4-dinitroacetanilide (610-53-7) → 4-nitro-2-aminoacetanilide (53987-32-9)

Guidance literature:

With baker's yeast; In phosphate buffer; ethanol; acetone; at 30 ℃; for 4h; pH=7.5;

DOI:10.1055/s-2004-837203

Reference yield:

2,4-dinitroacetanilide (610-53-7) → 2-methyl-5-nitrobenzimidazole (1792-40-1) + 4-nitro-2-aminoacetanilide (53987-32-9)

Guidance literature:

With ammonium sulfide;

DOI:10.1039/jr9300001409

Reference yield:

2,4-Dinitroanilin (97-02-9) → 4-nitro-2-aminoacetanilide (53987-32-9)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂SO₄ / Heating

2: 82 percent / baker's yeast / acetone; ethanol; aq. phosphate buffer / 4 h / 30 °C / pH 7.5

With baker's yeast; sulfuric acid; In phosphate buffer; ethanol; acetone;

DOI:10.1055/s-2004-837203

upstream raw materials:

2,4-dinitroacetanilide

2,4-Dinitroanilin

Downstream raw materials:

6-nitro-2-methyl-1H-benzimidazole