Cyclopentyl 4-methylphenyl ketone

Base Information

• Chemical Name: Cyclopentyl 4-methylphenyl ketone
• CAS No.: 97802-97-6
• Molecular Formula: C13H16 O
• Molecular Weight: 188.269
• Hs Code.: 2914399090
• DSSTox Substance ID: DTXSID70473489
• Nikkaji Number: J1.058.901K
• Wikidata: Q82302918
• Mol file: 97802-97-6.mol

Synonyms:97802-97-6;CYCLOPENTYL 4-METHYLPHENYL KETONE;Cyclopentyl(p-tolyl)methanone;cyclopentyl(4-methylphenyl)methanone;Cyclopentyl-(4-methylphenyl)methanone;MFCD03841293;Cyclopentyl p-tolyl ketone;DTXSID70473489;AKOS000346295;CS-0069702;EN300-156357;Z385421358

Chemical Property of Cyclopentyl 4-methylphenyl ketone

Chemical Property:

• Vapor Pressure: 0.00127mmHg at 25°C
• Refractive Index: 1.544
• Boiling Point: 298.4°Cat760mmHg
• Flash Point: 124.8°C
• PSA: 17.07000
• Density: 1.034g/cm³
• LogP: 3.36790
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 188.120115130
• Heavy Atom Count: 14
• Complexity: 195

Purity/Quality:

98%,99%, ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)C2CCCC2

Technology Process of Cyclopentyl 4-methylphenyl ketone

There total 12 articles about Cyclopentyl 4-methylphenyl 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: 92.0%

Cyclopentane (287-92-3) + carbon monoxide (201230-82-2) + toluene (108-88-3,15644-74-3,16713-13-6) → cyclopentyl(p-tolyl)methanone (97802-97-6)

Guidance literature:

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

DOI:10.1007/BF02498161

Reference yield: 81.0%

4-methyl-benzaldehyde (104-87-0) + cyclopentene (142-29-0) → cyclopentyl(p-tolyl)methanone (97802-97-6)

Guidance literature:

(1,2,3,4-Me₄-5-CF₃-cyclopentadiene)Rh(CH₂=CH-SiMe₃)2; In toluene; at 75 ℃; for 6h;

DOI:10.1021/ja066509x

Reference yield: 69.0%

C13H27In + 4-methyl(thiobenzoic) acid S-(4-chlorophenyl) ester (39248-93-6) → cyclopentyl(p-tolyl)methanone (97802-97-6)

Guidance literature:

With dichloro bis(acetonitrile) palladium(II); In tetrahydrofuran; at 55 ℃; for 16h;

DOI:10.1021/jo050110u

upstream raw materials:

para-methylphenylmagnesium bromide

2-Chlorocyclohexanone

Cyclopentane

carbon monoxide

Downstream raw materials:

<α-Brom-cyclopentyl>-p-tolyl-keton

cyclopentyl(2-hydroxy-4-methylphenyl)methanone