2-Chloro-3'-methylbenzophenone

Base Information

• Chemical Name: 2-Chloro-3'-methylbenzophenone
• CAS No.: 131822-46-3
• Molecular Formula: C14H11ClO
• Molecular Weight: 230.69
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID70604918
• Wikidata: Q82502991
• Mol file: 131822-46-3.mol

Synonyms:2-CHLORO-3'-METHYLBENZOPHENONE;131822-46-3;(2-chlorophenyl)-(3-methylphenyl)methanone;MFCD09801670;(2-Chlorophenyl)(3-methylphenyl)methanone;DTXSID70604918;(2-Chloro-phenyl)-m-tolyl-methanone;AKOS010258678;Methanone, (2-chlorophenyl)(3-methylphenyl)-

Chemical Property of 2-Chloro-3'-methylbenzophenone

Chemical Property:

• Vapor Pressure: 2.37E-05mmHg at 25°C
• Boiling Point: 359.5°C at 760 mmHg
• Flash Point: 195.5°C
• PSA: 17.07000
• Density: 1.178g/cm³
• LogP: 3.87940
• 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:

97% ^*data from raw suppliers

2-Chloro-3'-methylbenzophenone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)C(=O)C2=CC=CC=C2Cl

Technology Process of 2-Chloro-3'-methylbenzophenone

There total 5 articles about 2-Chloro-3'-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:

toluene (108-88-3,15644-74-3,16713-13-6) + ortho-chlorobenzoic acid (118-91-2) → (2-chlorophenyl)-(2-methylphenyl)-methanone (4888-03-3) + (2-chlorophenyl)-(3-methylphenyl)-methanone (131822-46-3) + (2-chlorophenyl)(p-tolyl)methanone (5953-00-4)

Guidance literature:

With erbium(III) triflate; In neat (no solvent); at 180 ℃; for 0.333333h; Overall yield = 85 %; Microwave irradiation;

DOI:10.1016/j.tetlet.2014.12.038

Reference yield:

(2-chlorophenyl)(m-tolyl)methanol (149243-82-3,149243-85-6) → (2-chlorophenyl)-(3-methylphenyl)-methanone (131822-46-3)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; at 20 ℃; for 15h;

DOI:10.1002/chem.201200379

Reference yield:

meta-bromotoluene (591-17-3) + 2-chloro-benzaldehyde (89-98-5) → (2-chlorophenyl)-(3-methylphenyl)-methanone (131822-46-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: magnesium; iodine

1.2: -40 - 20 °C / Schlenk technique; Inert atmosphere

2.1: pyridinium chlorochromate / dichloromethane / 20 °C

With iodine; magnesium; pyridinium chlorochromate; In dichloromethane;

DOI:10.1021/acs.orglett.6b00453

upstream raw materials:

meta-bromotoluene

(2-chlorophenyl)(m-tolyl)methanol

2-chloro-benzaldehyde

toluene

Downstream raw materials:

3-(2-chlorobenzoyl)benzaldehyde