1-(2-Amino-3-nitrophenyl)ethan-1-one

Base Information

• Chemical Name: 1-(2-Amino-3-nitrophenyl)ethan-1-one
• CAS No.: 20864-49-7
• Molecular Formula: C8H8N2O3
• Molecular Weight: 180.163
• Hs Code.: 2922399090
• DSSTox Substance ID: DTXSID60500531
• Nikkaji Number: J36.357J
• Wikidata: Q82352200
• Mol file: 20864-49-7.mol

Synonyms:20864-49-7;1-(2-Amino-3-nitrophenyl)ethan-1-one;1-(2-Amino-3-nitrophenyl)ethanone;2'-Amino-3'-nitroacetophenone;Ethanone, 1-(2-amino-3-nitrophenyl)-;SCHEMBL505223;DTXSID60500531;VJWBEISSWTXNRJ-UHFFFAOYSA-N;1-(2-Amino-3-nitro-phenyl)-ethanone;CS-0449608

Chemical Property of 1-(2-Amino-3-nitrophenyl)ethan-1-one

Chemical Property:

• PSA: 88.91000
• LogP: 2.48400
• XLogP3: 1.3
• 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-3-nitrophenyl)ethanone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(2-Amino-3-nitrophenyl)ethan-1-one

There total 4 articles about 1-(2-Amino-3-nitrophenyl)ethan-1-one 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: 82.3%

acetic acid-(2-acetyl-6-nitro-anilide) (194784-10-6) → 2-amino-3-nitroacetophenone (20864-49-7)

Guidance literature:

acetic acid-(2-acetyl-6-nitro-anilide); With hydrogenchloride; water; In ethanol; for 1h; Reflux;

With sodium hydrogencarbonate; In ethanol; water; ethyl acetate;

Reference yield:

1-(2-nitroamino-phenyl)-ethanone (861611-98-5) → 1-(2-amino-5-nitro-phenyl)ethanone (32580-41-9) + 2-amino-3-nitroacetophenone (20864-49-7)

Guidance literature:

With sulfuric acid; at -15 - -10 ℃;

Reference yield:

N-(2-acetylphenyl)acetamide (5234-26-4) → 2-amino-3-nitroacetophenone (20864-49-7)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid; nitric acid

2: aq.-ethanolic hydrochloric acid

With hydrogenchloride; sulfuric acid; nitric acid;

DOI:10.1039/jr9470000237

upstream raw materials:

1-(2-nitroamino-phenyl)-ethanone

acetic acid-(2-acetyl-6-nitro-anilide)

N-(2-acetylphenyl)acetamide

Downstream raw materials:

monoacetylphenylenediamine

2-azido-3-nitroacetophenone

2-azido-3-nitroacetophenone azine

8-nitro-cinnolin-4-ylamine