Ethanone, 2,2-dichloro-1-(2-nitrophenyl)-

Base Information

• Chemical Name: Ethanone, 2,2-dichloro-1-(2-nitrophenyl)-
• CAS No.: 66924-63-8
• Molecular Formula: C8H5Cl2NO3
• Molecular Weight: 234.039
• DSSTox Substance ID: DTXSID50434558
• Nikkaji Number: J1.408.574B
• Wikidata: Q82249013
• ChEMBL ID: CHEMBL4286646

Synonyms:Ethanone, 2,2-dichloro-1-(2-nitrophenyl)-;66924-63-8;2,2-Dichloro-2'-nitroacetophenone;Dichlororthonitroacetophenon;CHEMBL4286646;DTXSID50434558

Chemical Property of Ethanone, 2,2-dichloro-1-(2-nitrophenyl)-

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 232.9646484
• Heavy Atom Count: 14
• Complexity: 239

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethanone, 2,2-dichloro-1-(2-nitrophenyl)-

There total 5 articles about Ethanone, 2,2-dichloro-1-(2-nitrophenyl)- 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: 84.0%

2,2,2-trichloro-1-(2-nitro-phenyl)-ethanone (98556-45-7) → 2,2-dichloro-1-(2-nitrophenyl)ethan-1-one (66924-63-8)

Guidance literature:

With methanol; triphenylphosphine; In dichloromethane; at 0 ℃; for 0.166667h; chemoselective reaction; Inert atmosphere;

DOI:10.1021/acs.joc.6b02044

Reference yield: 59.8%

2-acetylnitrobenzene (577-59-3) → 2,2-dichloro-1-(2-nitrophenyl)ethan-1-one (66924-63-8)

Guidance literature:

2-acetylnitrobenzene; With ammonium chloride; In acetonitrile; for 0.0833333h;

With 1,3-dichloro-5,5-dimethylhydantoin; In acetonitrile; at 40 ℃; for 16h;

DOI:10.1016/j.bmcl.2018.09.026

Reference yield:

C10H10Cl2LiNO4 → 2,2-dichloro-1-(2-nitrophenyl)ethan-1-one (66924-63-8)

Guidance literature:

With acetic acid; In tetrahydrofuran; hexane; water; at 20 ℃; for 0.0333333h; Flow reactor;

DOI:10.1039/d1ob00288k

upstream raw materials:

2-acetylnitrobenzene

2,2-dichloroacetophenone

2,2,2-trichloro-1-(2-nitro-phenyl)-ethanone

ethyl 2-nitrobenzoate

Downstream raw materials:

1H,1H'-2,2'-Biindolylidene-3,3'-dione

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