3-(4-Methylphenyl)cyclopentanone

Base Information

• Chemical Name: 3-(4-Methylphenyl)cyclopentanone
• CAS No.: 86921-82-6
• Molecular Formula: C12H14O
• Molecular Weight: 174.243
• Hs Code.: 2914399090
• DSSTox Substance ID: DTXSID90518720
• Nikkaji Number: J2.876.767F
• Mol file: 86921-82-6.mol

Synonyms:3-(4-methylphenyl)cyclopentanone;86921-82-6;3-(p-Tolyl)cyclopentanone;3-(4-METHYLPHENYL)CYCLOPENTAN-1-ONE;SCHEMBL735604;3-(p-tolyl)-cyclopentan-1-one;DTXSID90518720;MFCD06659803;AKOS006294611;AB26347

Chemical Property of 3-(4-Methylphenyl)cyclopentanone

Chemical Property:

• PSA: 17.07000
• LogP: 2.83160
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 174.104465066
• Heavy Atom Count: 13
• Complexity: 189

Purity/Quality:

98%min ^*data from raw suppliers

3-(p-Tolyl)cyclopentanone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2CCC(=O)C2

Technology Process of 3-(4-Methylphenyl)cyclopentanone

There total 5 articles about 3-(4-Methylphenyl)cyclopentanone 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: 84.0%

cyclopent-2-enone (930-30-3) + 4-methylphenylboronic acid (5720-05-8) → 3-(4-Methylphenyl)cyclopentanone (86921-82-6)

Guidance literature:

With 4,4’‐bis(trimethylammoniummethyl)‐2,2’‐bipyridine; tetrafluoroboric acid; diamminedichloropalladium(II); In water; at 80 ℃; for 24h; pH=1;

DOI:10.1002/aoc.1654

Reference yield: 54.0%

cyclopent-2-enone (930-30-3) + (4-methylphenyl)azo 4-methylphenyl sulfone (33604-67-0) → (4,4'-dimethyl-1,1'-biphenyl) (613-33-2) + 4-Methylbiphenyl (644-08-6) + 3-(4-Methylphenyl)cyclopentanone (86921-82-6)

Guidance literature:

tetrakis(triphenylphosphine) palladium⁽⁰⁾; In benzene; at 80 ℃; for 2h; Yields of byproduct given;

Reference yield: 37.0%

1-<2-bis(methylthio)methyleneacetyl>-2-(3,4-methylenedioxyphenyl)cyclopropane (132610-21-0) → 3-(4-Methylphenyl)cyclopentanone (86921-82-6)

Guidance literature:

With formic acid; phosphoric acid; at 80 ℃;

DOI:10.1016/S0040-4039(00)87848-X

upstream raw materials:

cyclopent-2-enone

(4-methylphenyl)azo 4-methylphenyl sulfone

para-bromotoluene

1-<2-bis(methylthio)methyleneacetyl>-2-(3,4-methylenedioxyphenyl)cyclopropane

Downstream raw materials:

4,7-dimethyl-3,4-dihydro-2H-naphthalen-1-one