(3-Chloro-4-methoxyphenyl)(phenyl)methanone

Base Information

• Chemical Name: (3-Chloro-4-methoxyphenyl)(phenyl)methanone
• CAS No.: 10547-61-2
• Molecular Formula: C14H11ClO2
• Molecular Weight: 246.693
• DSSTox Substance ID: DTXSID20356556
• Nikkaji Number: J1.979.719H
• Wikidata: Q82135957
• Mol file: 10547-61-2.mol

Synonyms:10547-61-2;(3-chloro-4-methoxyphenyl)-phenylmethanone;(3-chloro-4-methoxyphenyl)(phenyl)methanone;Methanone, (3-chloro-4-methoxyphenyl)phenyl-;AE-562/12222855;SCHEMBL9365255;DTXSID20356556

Chemical Property of (3-Chloro-4-methoxyphenyl)(phenyl)methanone

Chemical Property:

• Melting Point: 99°C
• PSA: 26.30000
• LogP: 3.57960
• 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:

(3-CHLORO-4-METHOXYPHENYL)(PHENYL)METHANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (3-Chloro-4-methoxyphenyl)(phenyl)methanone

There total 6 articles about (3-Chloro-4-methoxyphenyl)(phenyl)methanone 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: 98.0%

2-Chloroanisole (766-51-8) + benzoyl chloride (98-88-4) → (3-chloro-4-methoxyphenyl)(phenyl)methanone (10547-61-2)

Guidance literature:

With copper(II) ferrite; In 1,2-dichloro-ethane; at 35 - 38 ℃; for 18h;

DOI:10.1016/j.tetlet.2013.01.081

Reference yield: 73.0%

2-Chloroanisole (766-51-8) + benzoic acid (65-85-0,8013-63-6) → (3-chloro-4-methoxyphenyl)(phenyl)methanone (10547-61-2)

Guidance literature:

With indium(III) chloride; dimethylmonochlorosilane; at 25 - 80 ℃; for 5h;

DOI:10.1021/ol062723e

Reference yield: 69.0%

2-Chloroanisole (766-51-8) + benzoic acid tert-butyl ester (774-65-2) → (3-chloro-4-methoxyphenyl)(phenyl)methanone (10547-61-2)

Guidance literature:

benzoic acid tert-butyl ester; With indium(III) bromide; dimethylmonochlorosilane; In 1,2-dichloro-ethane; at 20 ℃; for 2h; Inert atmosphere;

2-Chloroanisole; In 1,2-dichloro-ethane; at 90 ℃; for 10h; regioselective reaction;

DOI:10.1021/jo801914x

upstream raw materials:

4-Methoxybenzophenone

2-Chloroanisole

benzoyl chloride

aluminium trichloride

Downstream raw materials:

3,5-dichloro-4-methoxy-benzophenone

2-(4-benzoyl-2-chlorophenyl)-2-phenylpropanenitrile

(3,5-dichloro-4-hydroxyphenyl)(phenyl)methanone

(3-chloro-4-hydroxyphenyl)(phenyl)methanone

Refernces

• 1、 Parella, Ramarao,Naveen,Kumar, Amit,Babu, Srinivasarao Arulananda. "Catalytic Friedel-Crafts acylation: Magnetic nanopowder CuFe 2O4 as an efficient and magnetically separable catalyst". . p. 1738 - 1742. Retrieved 2013/03/28.
• 2、 Babu, Srinivasarao Arulananda,Yasuda, Makoto,Baba, Akio. "In(III)-mediated chemoselective dehydrogenative interaction of ClMe 2SiH with carboxylic acids: Direct chemo- And regioselective friedel-crafts acylation of aromatic ethers". . p. 405 - 408. Retrieved 2008/02/12.