1-(4-Chlorophenyl)-2-phenylethane-1,2-dione

Base Information

• Chemical Name: 1-(4-Chlorophenyl)-2-phenylethane-1,2-dione
• CAS No.: 22711-23-5
• Molecular Formula: C14H9 Cl O2
• Molecular Weight: 244.677
• Hs Code.: 2914700090
• European Community (EC) Number: 245-169-3
• UNII: NX93J5ZDB7
• DSSTox Substance ID: DTXSID00177246
• Nikkaji Number: J286.279D
• Wikidata: Q83047561
• Pharos Ligand ID: J4H5T91QCT9C
• ChEMBL ID: CHEMBL192180
• Mol file: 22711-23-5.mol

Synonyms:4-Chlorobenzil;22711-23-5;1-(4-chlorophenyl)-2-phenylethane-1,2-dione;4-Chlorodibenzoyl;(p-Chlorophenyl)phenylethanedione;NX93J5ZDB7;1-(4-Chlorophenyl)-2-phenylethan-1,2-dione;1-(4-Chlorophenyl)-2-phenyl-1,2-ethanedione;EINECS 245-169-3;1-(4-Chloro-phenyl)-2-phenyl-ethane-1,2-dione;p-Chlorbenzil;1-(4-Chloro-phenyl)-2-phenyl-ethane;P-CHLOROBENZIL;EC-000.1833;D0F3RN;UNII-NX93J5ZDB7;Benzil-based compound, 15;1,2-Ethanedione,1-(4-chlorophenyl)-2-phenyl-;SCHEMBL912515;CHEMBL192180;BDBM22737;DTXSID00177246;4-Chlorobibenzyl-alpha,beta-dione;AMY19306;MFCD00013646;STK331083;AKOS005438761;Ethanedione, (4-chlorophenyl)(phenyl)-;AC-20882;AS-66046;FT-0605687;F87402;1-(4-Chlorophenyl)-2-phenyl-1,2-ethanedione #;A816321;1,2-ETHANEDIONE, 1-(4-CHLOROPHENYL)-2-PHENYL-

Chemical Property of 1-(4-Chlorophenyl)-2-phenylethane-1,2-dione

Chemical Property:

• Vapor Pressure: 3.12E-06mmHg at 25°C
• Melting Point: 66-67oC
• Boiling Point: 388.2°C at 760 mmHg
• Flash Point: 164.1°C
• PSA: 34.14000
• Density: 1.272g/cm³
• LogP: 3.40560
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 244.0291072
• Heavy Atom Count: 17
• Complexity: 287

Purity/Quality:

97% ^*data from raw suppliers

1-(4-Chlorophenyl)-2-phenylethane-1,2-dione 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(4-Chlorophenyl)-2-phenylethane-1,2-dione

There total 104 articles about 1-(4-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: 100.0%

1-(4-chlorophenyl)-2-phenyl-2-(phenylimino)ethanone (1313850-06-4) → 4-chlorobenzil (22711-23-5)

Guidance literature:

With hydrogenchloride; water; In tetrahydrofuran; at 20 ℃; for 3h;

DOI:10.1016/j.tet.2011.04.020

Reference yield: 100.0%

4'-chloro-2-phenylacetophenone (1889-71-0) → 4-chlorobenzil (22711-23-5)

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: 98.0%

(E)-1-(4-chlorophenyl)-2-phenylethene (1657-50-7) → 4-chlorobenzil (22711-23-5)

Guidance literature:

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

DOI:10.1039/c3ra41489b

upstream raw materials:

4'-chloro-2-phenylacetophenone

p-chlorobenzoin

4-chlorobenzylmagnesium bromide

benzamide

Downstream raw materials:

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

2-(4-Chlor-benzoyl)-2-phenyl-1.1-dicyanaethylen

1-benzyl-4-(4-chlorophenyl)-5-phenylimidazole

2-(4-chlorophenyl)-2-hydroxy-1-phenylethanone