2-(4-Fluorobenzoyl)cyclohexanone

Base Information

Chemical Name:2-(4-Fluorobenzoyl)cyclohexanone
CAS No.:2730-20-3
Molecular Formula:C13H13FO2
Molecular Weight:220.243
Hs Code.:
DSSTox Substance ID:DTXSID20599845
Nikkaji Number:J1.265.274G

Synonyms:2-(4-fluorobenzoyl)cyclohexanone;2730-20-3;starbld0019520;SCHEMBL1720821;DTXSID20599845;YPFGOHKUMTXOKV-UHFFFAOYSA-N;2-(4-Fluorobenzoyl)cyclohexan-1-one

Suppliers and Price of 2-(4-Fluorobenzoyl)cyclohexanone

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 7 raw suppliers

Chemical Property of 2-(4-Fluorobenzoyl)cyclohexanone

Chemical Property:

PSA：34.14000
LogP:2.76770
XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:220.08995782
Heavy Atom Count:16
Complexity:280

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCC(=O)C(C1)C(=O)C2=CC=C(C=C2)F

Technology Process of 2-(4-Fluorobenzoyl)cyclohexanone

There total 4 articles about 2-(4-Fluorobenzoyl)cyclohexanone 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: 23.0%

: 108-94-1,11119-77-0,9003-41-2,9075-99-4
cyclohexanone

: 403-43-0
4-fluorobenzoyl chloride

: 2730-20-3
2-(4-fluoro-benzoyl)cyclohexanone

Guidance literature:: cyclohexanone; With lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃; for 0.75h; Inert atmosphere;

4-fluorobenzoyl chloride; In tetrahydrofuran; at 20 ℃; for 2h; Inert atmosphere;
DOI:10.1021/jo301138w

Reference yield:

: 930-68-7
cyclohexenone

: 459-57-4
4-fluorobenzaldehyde

: 2730-20-3
2-(4-fluoro-benzoyl)cyclohexanone

Guidance literature:: [Ru(H)Cl(CO)(PPh₃)3]; In benzene; at 80 ℃; for 5h;
DOI:10.1002/anie.200701005

Reference yield:

: 456-22-4
4-Fluorobenzoic acid

: 2730-20-3
2-(4-fluoro-benzoyl)cyclohexanone

Guidance literature:: Multi-step reaction with 2 steps

1: (COCl)2

2: LHMDS / tetrahydrofuran

With oxalyl dichloride; lithium hexamethyldisilazane; In tetrahydrofuran; 1: Chlorination / 2: Condensation;
DOI:10.1016/S0960-894X(00)00041-X