2-Chloro-2'-methylbenzophenone

Base Information

• Chemical Name: 2-Chloro-2'-methylbenzophenone
• CAS No.: 4888-03-3
• Molecular Formula: C₁₄H₁₁ClO
• Molecular Weight: 230.694
• DSSTox Substance ID: DTXSID20443117
• Nikkaji Number: J2.296.753C
• Wikidata: Q82260825
• Mol file: 4888-03-3.mol

Synonyms:2-CHLORO-2'-METHYLBENZOPHENONE;4888-03-3;(2-Chlorophenyl)(o-tolyl)methanone;MFCD00181816;(2-chlorophenyl)-(2-methylphenyl)methanone;SCHEMBL14528312;DTXSID20443117;(2-Chloro-phenyl)-o-tolyl-methanone;AKOS010258677;(2-CHLOROPHENYL)(2-METHYLPHENYL)METHANONE

Chemical Property of 2-Chloro-2'-methylbenzophenone

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 230.0498427
• Heavy Atom Count: 16
• Complexity: 251

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=CC=C1C(=O)C2=CC=CC=C2Cl

Technology Process of 2-Chloro-2'-methylbenzophenone

There total 10 articles about 2-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: 92.5%

2-methylchlorobenzene (95-49-8) + o-chlorobenzoyl chloride (609-65-4) → (2-chlorophenyl)-(2-methylphenyl)-methanone (4888-03-3)

Guidance literature:

2-methylchlorobenzene; With iodine; magnesium; In diethyl ether; for 4h; Inert atmosphere;

o-chlorobenzoyl chloride; In 5,5-dimethyl-1,3-cyclohexadiene; diethyl ether; for 36h; Cooling with ice; Reflux;

Reference yield: 90.0%

ortho-methylphenyl iodide (615-37-2) + carbon monoxide (201230-82-2) + 2-Chlorobenzeneboronic acid (3900-89-8) → (2-chlorophenyl)-(2-methylphenyl)-methanone (4888-03-3)

Guidance literature:

With potassium fluoride; potassium phosphate; copper; Trimethylacetic acid; at 100 ℃; for 24h; under 760.051 Torr;

DOI:10.1039/c4ra08594a

Reference yield: 90.0%

→ (2-chlorophenyl)-(2-methylphenyl)-methanone (4888-03-3)

Guidance literature:

With potassium fluoride; potassium phosphate; copper; Trimethylacetic acid; at 100 ℃; for 24h; under 760.051 Torr;

upstream raw materials:

ortho-tolylmagnesium bromide

2-Chlorobenzonitrile

o-chlorobenzoyl chloride

ortho-toluoyl chloride

Downstream raw materials:

3-(2-chloro-phenyl)-3-o-tolyl-oxirane-2-carboxylic acid

C₁₇H₁₆BrClO

2-(2-chlorobenzoyl)benzoic acid

Refernces

• 1、 -. "Preparation method of high-purity chloro-2-carboxyl-benzophenone". Paragraph 0041; 0042; 0044; 0045; 0046; 0047. . Retrieved 2018/10/02.
• 2、 Tran, Phuong Hoang,Hansen, Poul Erik,Nguyen, Hai Truong,Le, Thach Ngoc. "Erbium trifluoromethanesulfonate catalyzed Friedel-Crafts acylation using aromatic carboxylic acids as acylating agents under monomode-microwave irradiation". . p. 612 - 618. Retrieved 2015/02/19.