(4-Chlorophenyl)(2-furyl)methanone

Base Information

• Chemical Name: (4-Chlorophenyl)(2-furyl)methanone
• CAS No.: 13365-63-4
• Molecular Formula: C11H7ClO2
• Molecular Weight: 206.628
• Hs Code.: 2932190090
• DSSTox Substance ID: DTXSID90355596
• Nikkaji Number: J2.241.558A
• Wikidata: Q82134600
• Mol file: 13365-63-4.mol

Synonyms:(4-chlorophenyl)(2-furyl)methanone;13365-63-4;(4-chlorophenyl)(furan-2-yl)methanone;(4-chlorophenyl)-(furan-2-yl)methanone;2-(4-chlorobenzoyl)furan;Cambridge id 6831087;QIYZYIJVBGPXKW-UHFFFAOYSA-;DTXSID90355596;2-[(4-chlorophenyl)carbonyl]furan;MFCD03144309;STK735609;AKOS003390503;LS-07587;BB 0221024;CS-0315188;InChI=1/C11H7ClO2/c12-9-5-3-8(4-6-9)11(13)10-2-1-7-14-10/h1-7H

Chemical Property of (4-Chlorophenyl)(2-furyl)methanone

Chemical Property:

• Melting Point: 42 °C
• Boiling Point: 182 °C(Press: 14 Torr)
• PSA: 30.21000
• Density: 1.273±0.06 g/cm3(Predicted)
• LogP: 3.16400
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 206.0134572
• Heavy Atom Count: 14
• Complexity: 209

Purity/Quality:

98%min ^*data from raw suppliers

(4-chlorophenyl)(2-furyl)methanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (4-Chlorophenyl)(2-furyl)methanone

There total 10 articles about (4-Chlorophenyl)(2-furyl)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: 96.0%

2-furancarbonyl chloride (527-69-5) + tris(4-chlorophenyl)bismuthane (5575-51-9) → (4-chlorophenyl)(furan-2-yl)methanone (13365-63-4)

Guidance literature:

With tributyl-amine; In 1-methyl-pyrrolidin-2-one; at 80 ℃; for 4h; Schlenk technique; Inert atmosphere;

DOI:10.1002/ejoc.201201432

Reference yield: 87.0%

C15H10N2O6 (1228460-46-5) + (4-chlorphenyl)magnesium bromide (873-77-8) → (4-chlorophenyl)(furan-2-yl)methanone (13365-63-4)

Guidance literature:

In tetrahydrofuran; at -15 - 20 ℃; for 1h;

DOI:10.5012/bkcs.2010.31.03.749

Reference yield: 80.0%

2-(tributylstannyl)furan (118486-94-5) + 4-chloro-benzoyl chloride (122-01-0) → (4-chlorophenyl)(furan-2-yl)methanone (13365-63-4)

Guidance literature:

With bis[di(tert-butyl)chlorophosphine]palladium dichloride; In acetonitrile; at 82 ℃; for 20h;

DOI:10.1021/jo051257o

upstream raw materials:

2-furancarbonyl chloride

chlorobenzene

furan

para-chlorobenzoic acid

Downstream raw materials:

1-(4-Chloro-phenyl)-3,4-dihydro-pyrrolo[1,2-a]pyrazine

2-(4-chlorophenyl)pyridin-3-ol

Refernces

• 1、 Zhao, Hong,Yin, Lin,Cai, Mingzhong. "A phosphane-free, atom-efficient cross-coupling reaction of triarylbismuths with acyl chlorides catalyzed by MCM-41-immobilized palladium complex". . p. 1337 - 1345. Retrieved 2013/04/10.
• 2、 Lee, Jae In. "6-methyl-2, 4-pyrimidyl diesters. A highly efficient acylating agent for the synthesis of unsymmetrical ketones". experimental part. p. 749 - 752. Retrieved 2010/08/07.