4-Chloro-4'-ethylbenzophenone

Base Information

• Chemical Name: 4-Chloro-4'-ethylbenzophenone
• CAS No.: 71766-56-8
• Molecular Formula: C15H13ClO
• Molecular Weight: 244.721
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID00373923
• Wikidata: Q82162326
• Mol file: 71766-56-8.mol

Synonyms:4-Chloro-4'-ethylbenzophenone;71766-56-8;(4-chlorophenyl)-(4-ethylphenyl)methanone;DTXSID00373923;MFCD06201499;AKOS009339067;(4-chlorophenyl)(4-ethylphenyl)methanone

Chemical Property of 4-Chloro-4'-ethylbenzophenone

Chemical Property:

• Vapor Pressure: 1.41E-05mmHg at 25°C
• Boiling Point: 366.9°C at 760 mmHg
• Flash Point: 207.9°C
• PSA: 17.07000
• Density: 1.152g/cm³
• LogP: 4.13340
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 244.0654927
• Heavy Atom Count: 17
• Complexity: 248

Purity/Quality:

98%Min ^*data from raw suppliers

4-Chloro-4'-ethylbenzophenone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl

Technology Process of 4-Chloro-4'-ethylbenzophenone

There total 5 articles about 4-Chloro-4'-ethylbenzophenone 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-Chloro-4-iodobenzene (637-87-6) + 4-ethylphenylboronic acid (63139-21-9) + chromium(0) hexacarbonyl (199620-14-9,13007-92-6) → (4-chlorophenyl)(4-ethylphenyl)methanone (71766-56-8)

Guidance literature:

With sodium t-butanolate; In N,N-dimethyl acetamide; at 80 ℃; for 0.25h;

DOI:10.1007/s10562-019-03087-w

Reference yield: 91.0%

4-ethylphenylboronic acid (63139-21-9) + 4-chloro-benzoyl chloride (122-01-0) → (4-chlorophenyl)(4-ethylphenyl)methanone (71766-56-8)

Guidance literature:

With [Pd(3-[(2,6-diisopropylphenyl)-1-imidazolio]-2-quinoxalinide)(PPh₃)Cl₂]; potassium carbonate; In water; at 100 ℃; for 3h;

DOI:10.1002/ejoc.201701241

Reference yield: 90.0%

1-Chloro-4-iodobenzene (637-87-6) + 4-ethylphenylboronic acid (63139-21-9) + molybdenum hexacarbonyl (13939-06-5,199620-15-0) → (4-chlorophenyl)(4-ethylphenyl)methanone (71766-56-8)

Guidance literature:

With potassium phosphate; palladium(II) trifluoroacetate; In water; acetonitrile; at 50 ℃; for 6h; Inert atmosphere; Sealed tube;

DOI:10.1002/adsc.201900011

upstream raw materials:

ethylbenzene

4-chloro-benzoyl chloride

4-ethylphenylboronic acid

1-Chloro-4-iodobenzene

Downstream raw materials:

[4-(2-Amino-thiazol-4-yl)-phenyl]-(4-chloro-phenyl)-methanone

2-Chloro-1-[4-(4-chloro-benzoyl)-phenyl]-ethanone

1-[4-(4-chlorobenzoyl)phenyl]ethan-1-one

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