1-(2-Amino-4-nitrophenyl)ethanone

Base Information

• Chemical Name: 1-(2-Amino-4-nitrophenyl)ethanone
• CAS No.: 56515-58-3
• Molecular Formula: C8H8N2O3
• Molecular Weight: 180.163
• European Community (EC) Number: 633-485-8
• Nikkaji Number: J36.358H
• Mol file: 56515-58-3.mol

Synonyms:1-(2-amino-4-nitrophenyl)ethanone;56515-58-3;1-(2-AMINO-4-NITROPHENYL)ETHAN-1-ONE;2'-Amino-4'-nitroacetophenone;2'-AMINO-4'-NITROACETOPHENONE HYDROCHLORIDE;2-acetyl-amino-5-nitro-benzene;SCHEMBL11841320;AKOS024323972;CS-0453781

Chemical Property of 1-(2-Amino-4-nitrophenyl)ethanone

Chemical Property:

• Melting Point: 162-163 °C
• Boiling Point: 354.7±22.0 °C(Predicted)
• PKA: 0.27±0.10(Predicted)
• PSA: 88.91000
• Density: 1.333±0.06 g/cm3(Predicted)
• LogP: 2.48400
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 180.05349212
• Heavy Atom Count: 13
• Complexity: 224

Purity/Quality:

97% ^*data from raw suppliers

1-(2-Amino-4-nitrophenyl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(2-Amino-4-nitrophenyl)ethanone

There total 6 articles about 1-(2-Amino-4-nitrophenyl)ethanone 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:

acetic acid-(2-acetyl-5-nitro-anilide) (55260-67-8) → 1-(2-amino-4-nitro-phenyl)-ethanone (56515-58-3)

Guidance literature:

With hydrogenchloride;

DOI:10.1039/jr9490000796

Reference yield:

2,3-dimethyl-6-nitroindole (13801-00-8) → 1-(2-amino-4-nitro-phenyl)-ethanone (56515-58-3)

Guidance literature:

Multi-step reaction with 2 steps

1: chromium (VI)-oxide; aqueous acetic acid

2: aq.-ethanolic hydrochloric acid

With chromium(VI) oxide; hydrogenchloride; acetic acid;

DOI:10.1039/jr9490000796

Reference yield:

1-acetyl-2,3-dimethyl-6-nitro-indole (412274-22-7) → 1-(2-amino-4-nitro-phenyl)-ethanone (56515-58-3)

Guidance literature:

Multi-step reaction with 3 steps

1: aq.-ethanolic KOH-solution

2: chromium (VI)-oxide; aqueous acetic acid

3: aq.-ethanolic hydrochloric acid

With chromium(VI) oxide; hydrogenchloride; potassium hydroxide; acetic acid;

DOI:10.1039/jr9490000796

upstream raw materials:

acetic acid-(2-acetyl-5-nitro-anilide)

2,3-dimethyl-6-nitroindole

1-acetyl-2,3-dimethyl-6-nitro-indole

3-nitrophenylhydrazine

Downstream raw materials:

2-amino-4′-aminoacetophenone

(4-nitrophenyl)ethanone