Cyclopentyl 4-fluorophenyl ketone

Base Information

• Chemical Name: Cyclopentyl 4-fluorophenyl ketone
• CAS No.: 31545-25-2
• Molecular Formula: C12H13FO
• Molecular Weight: 192.23
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID30602551
• Wikidata: Q82499674
• Mol file: 31545-25-2.mol

Synonyms:CYCLOPENTYL 4-FLUOROPHENYL KETONE;31545-25-2;cyclopentyl(4-fluorophenyl)methanone;cyclopentyl-(4-fluorophenyl)methanone;MFCD03841310;DTXSID30602551;AKOS000346343;CS-0259451;EN300-73387;G55917;Z385412886

Chemical Property of Cyclopentyl 4-fluorophenyl ketone

Chemical Property:

• Vapor Pressure: 0.00262mmHg at 25°C
• Boiling Point: 286.6°C at 760 mmHg
• Flash Point: 116°C
• PSA: 17.07000
• Density: 1.131g/cm³
• LogP: 3.19860
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 192.095043196
• Heavy Atom Count: 14
• Complexity: 200

Purity/Quality:

97% ^*data from raw suppliers

cyclopentyl(4-fluorophenyl)methanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Cyclopentyl 4-fluorophenyl ketone

There total 3 articles about Cyclopentyl 4-fluorophenyl ketone 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: 43.0%

Cyclopentane (287-92-3) + 4-fluorobenzaldehyde (459-57-4) → cyclopentyl(4-fluorophenyl)methanone (31545-25-2)

Guidance literature:

With di-tert-butyl peroxide; at 180 ℃; for 1h; Microwave irradiation; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.joc.5b01824

Reference yield:

4-fluorobenzonitrile (1194-02-1,143234-87-1) + cyclopentylmagnesium bromide (33240-34-5) → cyclopentyl(4-fluorophenyl)methanone (31545-25-2)

Guidance literature:

4-fluorobenzonitrile; cyclopentylmagnesium bromide; With copper(l) iodide; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

With hydrogenchloride; water; In tetrahydrofuran; at 20 ℃; for 4h; Inert atmosphere;

DOI:10.1021/acs.orglett.0c01626

Reference yield:

→ cyclopentyl(4-fluorophenyl)methanone (31545-25-2)

Guidance literature:

Cyclopentylcarbonylchlorid, Fluorbenzol, AlCl3 (analog Bsp. 1);

upstream raw materials:

Cyclopentane

4-fluorobenzaldehyde

4-fluorobenzonitrile

cyclopentylmagnesium bromide

Downstream raw materials:

(4-Amino-3-nitrophenyl)-cyclopentylketon

(3,4-Diamino-phenyl)-cyclopentyl-methanon

Cyclopentyl-4-fluor-3-nitrophenylketon

Refernces

• 1、 Zhang, Xinying,Wang, Zhangxin,Fan, Xuesen,Wang, Jianji. "Synthesis of Ketones through Microwave Irradiation Promoted Metal-Free Alkylation of Aldehydes by Activation of C(sp3)-H Bond". . p. 10660 - 10667. Retrieved 2015/11/18.