3-Chloro-2'-methylbenzophenone

Base Information

• Chemical Name: 3-Chloro-2'-methylbenzophenone
• CAS No.: 5621-69-2
• Molecular Formula: C14H11ClO
• Molecular Weight: 230.694
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID30552183
• Wikidata: Q82432253
• Mol file: 5621-69-2.mol

Synonyms:3-CHLORO-2'-METHYLBENZOPHENONE;5621-69-2;(3-chlorophenyl)-(2-methylphenyl)methanone;MFCD09801658;(3-Chlorophenyl)(2-methylphenyl)methanone;DTXSID30552183;JSTTZOQOYJTDGW-UHFFFAOYSA-N;AKOS010014971;methyl (3-chlorophenyl)(phenyl)methanone

Chemical Property of 3-Chloro-2'-methylbenzophenone

Chemical Property:

• Vapor Pressure: 0.000168mmHg at 25°C
• Boiling Point: 330.3°C at 760 mmHg
• Flash Point: 184.7°C
• 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: 251

Purity/Quality:

3-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(=CC=C2)Cl

Technology Process of 3-Chloro-2'-methylbenzophenone

There total 5 articles about 3-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: 95.0%

o-tolyl magnesium chloride (33872-80-9) + m-Chlorobenzoyl chloride (618-46-2) → (3-chlorophenyl)(o-tolyl)methanone (5621-69-2)

Guidance literature:

o-tolyl magnesium chloride; With zinc(II) chloride; In 1-methyl-pyrrolidin-2-one; diethyl ether; at 60 ℃; for 0.333333h;

m-Chlorobenzoyl chloride; ((t-Bu)2POH)2PdCl₂; In 1-methyl-pyrrolidin-2-one; at 25 ℃; for 0.5h; Further stages.;

DOI:10.1021/jo801445y

Reference yield: 91.0%

6-methyl-2,4-pyrimidin-diyl di(3-chlorobenzoate) (1228460-44-3) + o-tolyl magnesium chloride (33872-80-9) → (3-chlorophenyl)(o-tolyl)methanone (5621-69-2)

Guidance literature:

In tetrahydrofuran; at -15 - 0 ℃; for 3h;

DOI:10.5012/bkcs.2010.31.03.749

Reference yield:

carbon monoxide (201230-82-2) + 3-chlorobenzenediazonium tetrafluoroborate (456-39-3) + 1-methyl-2-(trimethylstannyl)benzene (17113-82-5) → 2,2'-dimethylbenzophenone (1018-97-9) + (3-chlorophenyl)(o-tolyl)methanone (5621-69-2)

Guidance literature:

With palladium diacetate; In diethyl ether; acetonitrile; for 2h; Yield given. Yields of byproduct given; Ambient temperature;

upstream raw materials:

carbon monoxide

3-chlorobenzenediazonium tetrafluoroborate

1-methyl-2-(trimethylstannyl)benzene

m-Chlorobenzoyl chloride

Downstream raw materials:

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