1-(2-Chlorophenyl)-2-phenylethane-1,2-dione

Base Information

• Chemical Name: 1-(2-Chlorophenyl)-2-phenylethane-1,2-dione
• CAS No.: 34082-45-6
• Molecular Formula: C14H9ClO2
• Molecular Weight: 244.677
• DSSTox Substance ID: DTXSID60504579
• Nikkaji Number: J2.916.256E
• Wikidata: Q82359168

Synonyms:Chlorbenzil;1-(2-Chlorophenyl)-2-phenylethane-1,2-dione;34082-45-6;1-(2-chlorophenyl)-2-phenylethanedione;SCHEMBL2225523;DTXSID60504579;MKUXVBBTDQIRMW-UHFFFAOYSA-N

Chemical Property of 1-(2-Chlorophenyl)-2-phenylethane-1,2-dione

Chemical Property:

• PSA: 34.14000
• LogP: 3.40560
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 244.0291072
• Heavy Atom Count: 17
• Complexity: 295

Purity/Quality:

≥99% ^*data from raw suppliers

1-(2-chlorophenyl)-2-phenylethane-1,2-dione 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC=C2Cl

Technology Process of 1-(2-Chlorophenyl)-2-phenylethane-1,2-dione

There total 29 articles about 1-(2-Chlorophenyl)-2-phenylethane-1,2-dione 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: 95.0%

1-phenyl-2-(2-chlorophenyl)ethanone (57479-60-4) → 1-(2-chlorophenyl)-2-phenylethane-1,2-dione (34082-45-6)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; In N,N-dimethyl-formamide; at 90 ℃; for 24h;

DOI:10.1055/s-0030-1258375

Reference yield: 91.0%

(E)-2-chlorostilbene (1657-52-9,24942-76-5) → 1-(2-chlorophenyl)-2-phenylethane-1,2-dione (34082-45-6)

Guidance literature:

With water; iodine; oxygen; In acetonitrile; at 140 ℃; for 20h; chemoselective reaction; Sealed tube;

DOI:10.1039/c3ra41489b

Reference yield: 86.0%

1-(2-chlorophenyl)-2-phenyl-1-ethanone (72867-72-2) → 1-(2-chlorophenyl)-2-phenylethane-1,2-dione (34082-45-6)

Guidance literature:

With potassium hydrogencarbonate; dimethyl sulfoxide; at 80 ℃;

DOI:10.1039/c5cc05713b

upstream raw materials:

1-phenyl-2-(2-chlorophenyl)ethanone

(2-Chloro-phenyl)-(2-phenyl-[1,3]dithian-2-yl)-methanone oxime

2-Phenyl-[1,3]dithiane

2-chlorobenzonitrile oxide

Downstream raw materials:

2-chlorobenzilic acid

3-(2-chloro-phenyl)-2,4,5-triphenyl-cyclopentadienone

[2-(2-Chloro-phenyl)-oxiranyl]-phenyl-methanone

2-(2-chlorobenzoyl)-2-phenyloxirane

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