4-Chlorophenyl cyclopentyl ketone

Base Information

• Chemical Name: 4-Chlorophenyl cyclopentyl ketone
• CAS No.: 2204-98-0
• Molecular Formula: C12H13ClO
• Molecular Weight: 208.688
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID40456188
• Nikkaji Number: J1.058.899E
• Wikidata: Q82278426
• Mol file: 2204-98-0.mol

Synonyms:4-CHLOROPHENYL CYCLOPENTYL KETONE;2204-98-0;p-Chlorophenyl Cyclopentyl Ketone;(4-chlorophenyl)-cyclopentylmethanone;(4-chlorophenyl)(cyclopentyl)methanone;MFCD03841308;p-ChlorophenylCyclopentylKetone;SCHEMBL2322628;DTXSID40456188;CAA20498;(4-Chlorophenyl)cyclopentylmethanone;Cyclopentyl(4-chlorophenyl)methanone;AKOS000346368;CS-0238490;EN300-196270;Z385417354

Chemical Property of 4-Chlorophenyl cyclopentyl ketone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 320.75°C at 760 mmHg
• Flash Point: 170.673°C
• PSA: 17.07000
• Density: 1.174g/cm³
• LogP: 3.71290
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 208.0654927
• Heavy Atom Count: 14
• Complexity: 200

Purity/Quality:

99%, ^*data from raw suppliers

p-ChlorophenylCyclopentylKetone ^*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)Cl
• Uses: p-Chlorophenyl Cyclopentyl Ketone is a derivative of Ketamine (K165300), which is an anesthetic (intravenous).

Technology Process of 4-Chlorophenyl cyclopentyl ketone

There total 10 articles about 4-Chlorophenyl cyclopentyl 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: 98.0%

Cyclopentane (287-92-3) + carbon monoxide (201230-82-2) + 4-chlorophenyltrimethylsilane (10557-71-8) → (4-chlorophenyl)(cyclopentyl)methanone (2204-98-0)

Guidance literature:

With aluminum tri-bromide; 1,1-dibromomethane; In tetrachloromethane; at 0 ℃;

DOI:10.1007/BF02498161

Reference yield: 77.0%

cyclopentanone p-tolylsulfonylhydrazone (17529-98-5) + 4-chlorobenzaldehyde (104-88-1) → (4-chlorophenyl)(cyclopentyl)methanone (2204-98-0)

Guidance literature:

With caesium carbonate; In 1,4-dioxane; at 110 ℃; for 6h; Inert atmosphere; Sealed tube;

DOI:10.1021/ol5011714

Reference yield: 65.0%

(4-chlorophenyl)(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)methanone + cyclopentene (142-29-0) → (4-chlorophenyl)(cyclopentyl)methanone (2204-98-0)

Guidance literature:

With tert.-butylhydroperoxide; [(S,S)-N,N’-bis(3,5-di-tertbutylsalicylidene)-1,2-cyclohexanediaminato(2-)]cobalt(II); phenylsilane; Selectfluor; In decane; isopropyl alcohol; at 22 ℃; for 12h; Sealed tube; Inert atmosphere;

DOI:10.1021/jacs.1c02629

upstream raw materials:

(4-chlorphenyl)magnesium bromide

2-Chlorocyclohexanone

Cyclopentane

carbon monoxide

Downstream raw materials:

1-Bromcyclopentyl-p-chlorphenylketon