3-(4-Chlorophenyl)cyclobutanone

Base Information

• Chemical Name: 3-(4-Chlorophenyl)cyclobutanone
• CAS No.: 152714-07-3
• Molecular Formula: C10H9ClO
• Molecular Weight: 180.634
• Hs Code.: 2914290090
• European Community (EC) Number: 868-997-2
• Nikkaji Number: J816.187I
• Mol file: 152714-07-3.mol

Synonyms:3-(4-chlorophenyl)cyclobutanone;152714-07-3;3-(4-chlorophenyl)cyclobutan-1-one;MFCD04038980;3-(4-Chlorophenyl)-cyclobutane-1-one;SCHEMBL425308;CGA71407;AKOS023842437;AS-43614;SY035089;CS-0074473;3-(4-CHLOROPHENYL)-CYCLOBUTAN-1-ONE;EN300-43631;F8889-8427

Chemical Property of 3-(4-Chlorophenyl)cyclobutanone

Chemical Property:

• PSA: 89.37000
• LogP: 1.10610
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 180.0341926
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

97% ^*data from raw suppliers

3-(4-chlorophenyl)cyclobutan-1-one ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CC1=O)C2=CC=C(C=C2)Cl

Technology Process of 3-(4-Chlorophenyl)cyclobutanone

There total 9 articles about 3-(4-Chlorophenyl)cyclobutanone 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: 93.0%

2,2-dichloro-3-(4'-chlorophenyl)cyclobutanone (191019-76-8) → 3-(4-chlorophenyl)cyclobutanone (152714-07-3)

Guidance literature:

With zinc; In acetic acid; for 14h; Ambient temperature;

DOI:10.1080/00397919708004109

Reference yield: 85.0%

2-Chloro-3-(4-chloro-phenyl)-cyclobut-2-enone (152714-04-0) → 3-(4-chlorophenyl)cyclobutanone (152714-07-3)

Guidance literature:

With hydrogen; sodium acetate; palladium on activated charcoal; In methanol;

DOI:10.1021/ja00076a024

Reference yield: 63.0%

4-vinylbenzyl chloride (1073-67-2,24991-47-7) + N,N-dimethyl acetamide (127-19-5,116057-81-9) → 3-(4-chlorophenyl)cyclobutanone (152714-07-3)

Guidance literature:

N,N-dimethyl acetamide; With trifluoromethylsulfonic anhydride; In 1,2-dichloro-ethane; at 5 ℃; for 0.5h;

4-vinylbenzyl chloride; In 1,2-dichloro-ethane; for 18h; Reflux;

DOI:10.1002/ejoc.201500746

upstream raw materials:

2-Chloro-3-(4-chloro-phenyl)-cyclobut-2-enone

4-vinylbenzyl chloride

trifluoroacetyl chloride

2,2-dichloro-3-(4'-chlorophenyl)cyclobutanone

Downstream raw materials:

3-(4-Chloro-phenyl)-1-methyl-cyclobutanol

3-(4-chlorophenyl)-1-butanol

4-(4-chlorophenyl)pyrrolidin-2-one

(S)-β-(4-chlorophenyl)-γ-butyrolactone