Methanone, (4-chloro-3-methoxyphenyl)phenyl-

Base Information

• Chemical Name: Methanone, (4-chloro-3-methoxyphenyl)phenyl-
• CAS No.: 834895-50-0
• Molecular Formula: C14H11ClO2
• Molecular Weight: 246.693
• DSSTox Substance ID: DTXSID00479358
• Nikkaji Number: J2.132.218K
• Wikidata: Q82313352
• Mol file: 834895-50-0.mol

Synonyms:834895-50-0;Methanone, (4-chloro-3-methoxyphenyl)phenyl-;SCHEMBL15906544;DTXSID00479358;AKOS018255716

Chemical Property of Methanone, (4-chloro-3-methoxyphenyl)phenyl-

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 246.0447573
• Heavy Atom Count: 17
• Complexity: 261

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)Cl

Technology Process of Methanone, (4-chloro-3-methoxyphenyl)phenyl-

There total 2 articles about Methanone, (4-chloro-3-methoxyphenyl)phenyl- 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: 54.0%

N-methoxy-N-methylbenzamide (6919-61-5) + 5-Bromo-2-chloroanisole (16817-43-9) → 4-chloro-3-methoxybenzophenone (834895-50-0)

Guidance literature:

5-Bromo-2-chloroanisole; With magnesium; In diethyl ether; Heating;

N-methoxy-N-methylbenzamide; In diethyl ether; Heating;

DOI:10.1016/j.tet.2004.10.069

Reference yield: 40.0%

5-Bromo-2-chloroanisole (16817-43-9) + benzoyl chloride (98-88-4) → 4-chloro-3-methoxybenzophenone (834895-50-0)

Guidance literature:

5-Bromo-2-chloroanisole; With iodine; magnesium; In tetrahydrofuran; for 3h; Reflux;

benzoyl chloride; In tetrahydrofuran; for 5h;

Reference yield: 91.0%

2,6-dimethylbenzene-1-thiol (118-72-9) + 4-chloro-3-methoxybenzophenone (834895-50-0) → C22H20O2S (1427470-24-3)

Guidance literature:

With 1,1'-bis-(diphenylphosphino)ferrocene; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; N-ethyl-N,N-diisopropylamine; sodium t-butanolate; In toluene; for 3h; Inert atmosphere; Reflux;

upstream raw materials:

N-methoxy-N-methylbenzamide

5-Bromo-2-chloroanisole

benzoyl chloride

Downstream raw materials:

C₂₂H₂₀O₂S