N-(4-Amino-3-nitrophenyl)acetamide

Base Information

• Chemical Name: N-(4-Amino-3-nitrophenyl)acetamide
• CAS No.: 6086-29-9
• Molecular Formula: C8H9 N3 O3
• Molecular Weight: 195.178
• Hs Code.: 2921590090
• European Community (EC) Number: 228-019-1
• DSSTox Substance ID: DTXSID30209701
• Nikkaji Number: J227.287C
• NSC Number: 621133
• Wikidata: Q83084085
• Mol file: 6086-29-9.mol

Synonyms:N-(4-Amino-3-nitrophenyl)acetamide;6086-29-9;1-N-acetyl-3-nitro-p-phenylenediamine;4'-Amino-3'-nitroacetanilide;4-Acetamido-2-nitroaniline;Acetamide, N-(4-amino-3-nitrophenyl)-;EINECS 228-019-1;NSC621133;4-Amino-3-nitroacetanilide;SCHEMBL3911774;DTXSID30209701;MFCD00035890;AKOS003241090;NSC-621133;PS-5046;CS-0210637;FT-0693636;NS00034484;AH-034/32843059

Chemical Property of N-(4-Amino-3-nitrophenyl)acetamide

Chemical Property:

• Vapor Pressure: 0.000143mmHg at 25°C
• Melting Point: 211.5-212.0 °C
• Boiling Point: 332.7°C at 760 mmHg
• PKA: 13.83±0.70(Predicted)
• Flash Point: 155°C
• PSA: 100.94000
• Density: 1.428g/cm³
• LogP: 2.31280
• XLogP3: 0.4
• 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

4''-Amino-3''-nitroacetanilide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-(4-Amino-3-nitrophenyl)acetamide

There total 28 articles about N-(4-Amino-3-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: 90.0%

2-nitro-1,4-phenylenediamine (5307-14-2,183870-67-9) + acetic anhydride (108-24-7) → 4-acetylamino-1-amino-2-nitrobenzene (6086-29-9)

Guidance literature:

In acetone;

Reference yield:

nitro-p-phenylenediamine N1,N4-diacetate (5345-53-9) → 4-acetylamino-1-amino-2-nitrobenzene (6086-29-9)

Guidance literature:

With ammonia; at 10 - 15 ℃; durch Stehenlassen;

Reference yield:

1,4-phenylenediamine (106-50-3) → 4-acetylamino-1-amino-2-nitrobenzene (6086-29-9)

Guidance literature:

Multi-step reaction with 4 steps

1: acetic acid / 0.25 h / Heating

2: acetic acid / 0.25 h / Heating

3: 60percent nitric acid, conc. sulfuric acid / 1.) 0 deg C, 10 min, 2.) RT, 30 min

4: conc. sulfuric acid / 0.25 h / 100 °C

With sulfuric acid; nitric acid; In acetic acid;

DOI:10.1021/jm00010a023

upstream raw materials:

N-(4-(1,3-dioxoisoindolin-2-yl) phenyl)acetamide

N-(4-acetylamino-phenyl)-phthalamic acid

nitro-p-phenylenediamine N¹,N⁴-diacetate

2-nitro-1,4-phenylenediamine

Downstream raw materials:

2-nitro-1,4-phenylenediamine

4-acetylamino-2-nitro-benzenediazonium-betaine

4-acetylamino-2-nitro-benzenediazonium; chloride

C₁₂H₁₄N₄O₅S