4-Chloro-2'-methylbenzophenone

Base Information

• Chemical Name: 4-Chloro-2'-methylbenzophenone
• CAS No.: 41064-50-0
• Molecular Formula: C14H11ClO
• Molecular Weight: 230.694
• Hs Code.: 2914700090
• European Community (EC) Number: 664-996-4
• DSSTox Substance ID: DTXSID10403700
• Nikkaji Number: J2.296.743F
• Wikidata: Q82207444
• Mol file: 41064-50-0.mol

Synonyms:4-CHLORO-2'-METHYLBENZOPHENONE;41064-50-0;(4-chlorophenyl)-(2-methylphenyl)methanone;(4-chlorophenyl)(2-methylphenyl)methanone;MFCD00028790;SCHEMBL12405804;DTXSID10403700;AKOS009339416;CS-0236798;EN300-1732268

Chemical Property of 4-Chloro-2'-methylbenzophenone

Chemical Property:

• Vapor Pressure: 0.000239mmHg at 25°C
• Boiling Point: 324.8oC at 760 mmHg
• Flash Point: 182.7oC
• PSA: 17.07000
• Density: 1.178g/cm3
• LogP: 3.87940
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 230.0498427
• Heavy Atom Count: 16
• Complexity: 243

Purity/Quality:

97% ^*data from raw suppliers

4-Chloro-2'-methylbenzophenone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1C(=O)C2=CC=C(C=C2)Cl

Technology Process of 4-Chloro-2'-methylbenzophenone

There total 15 articles about 4-Chloro-2'-methylbenzophenone 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: 99.0%

2-methylphenyl bromide (95-46-5) + 4-chlorobenzaldehyde (104-88-1) → (4-chlorophenyl)(2-methylphenyl)methanone (41064-50-0)

Guidance literature:

2-methylphenyl bromide; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h;

4-chlorobenzaldehyde; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 1h;

With iodine; potassium carbonate; In tert-butyl alcohol; for 18h; Reflux;

DOI:10.1016/j.tet.2011.12.023

Reference yield: 93.0%

(E)-1-(4-chlorostyryl)-2-methylbenzene (27486-17-5) → (4-chlorophenyl)(2-methylphenyl)methanone (41064-50-0)

Guidance literature:

With sodium periodate; tetraethylammonium iodide; In water; acetonitrile; at 105 ℃; for 12h; Sealed tube;

DOI:10.1039/c4ra08764j

Reference yield: 89.0%

1-chloro-4-(2-methylbenzyl)benzene (55676-88-5) → (4-chlorophenyl)(2-methylphenyl)methanone (41064-50-0)

Guidance literature:

With oxygen; sodium t-butanolate; In dimethyl sulfoxide; at 50 ℃; for 5h; Sealed tube;

DOI:10.1055/s-0036-1588928

upstream raw materials:

ortho-toluoyl chloride

chlorobenzene

4-chloro-benzoyl chloride

toluene

Downstream raw materials:

(4-chlorophenyl)(2-methylphenyl)pyridin-3-yl methanol

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