3-(4-Chlorophenyl)cyclopentanone

Base Information

• Chemical Name: 3-(4-Chlorophenyl)cyclopentanone
• CAS No.: 115169-77-2
• Molecular Formula: C11H11 Cl O
• Molecular Weight: 194.661
• DSSTox Substance ID: DTXSID70567771
• Nikkaji Number: J2.876.765J
• Mol file: 115169-77-2.mol

Synonyms:3-(4-CHLOROPHENYL)CYCLOPENTANONE;115169-77-2;3-(4-CHLOROPHENYL)CYCLOPENTAN-1-ONE;SCHEMBL444141;DTXSID70567771;MFCD06659804;Cyclopentanone, 3-(4-chlorophenyl)-;AKOS006294612;AB26349;AS-36321;CS-0215456;EN300-249267

Chemical Property of 3-(4-Chlorophenyl)cyclopentanone

Chemical Property:

• PSA: 17.07000
• LogP: 3.17660
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 194.0498427
• Heavy Atom Count: 13
• Complexity: 194

Purity/Quality:

98%min ^*data from raw suppliers

3-(4-Chlorophenyl)cyclopentanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)CC1C2=CC=C(C=C2)Cl

Technology Process of 3-(4-Chlorophenyl)cyclopentanone

There total 2 articles about 3-(4-Chlorophenyl)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: 97.0%

cyclopent-2-enone (930-30-3) + 4-Chlorophenylboronic acid (1679-18-1) → 3-(4-chlorophenyl)cyclopentan-1-one (115169-77-2)

Guidance literature:

With C₂₄H₃₃BrN₃Rh; potassium hydroxide; In water; at 40 ℃; for 24h; Inert atmosphere;

DOI:10.1007/s10562-011-0563-9

Reference yield:

→ 3-(4-chlorophenyl)cyclopentan-1-one (115169-77-2)

Guidance literature:

Reference yield: 55.0%

hexane-washed sodium hydride + 3-(4-chlorophenyl)cyclopentan-1-one (115169-77-2) + Methyltriphenylphosphonium bromide (1779-49-3) + dimethyl sulfoxide (67-68-5,8070-53-9) → 3-(4-chlorophenyl)-1-methylenecyclopentane (115169-78-3)

Guidance literature:

In tetrahydrofuran; hexane;

upstream raw materials:

cyclopent-2-enone

4-Chlorophenylboronic acid

Downstream raw materials:

3-(4-chlorophenyl)-1-methylenecyclopentane

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