5-(4-Chlorophenyl)pentan-2-one

Base Information

Chemical Name:5-(4-Chlorophenyl)pentan-2-one
CAS No.:42829-08-3
Molecular Formula:C11H13ClO
Molecular Weight:196.677
Hs Code.:
DSSTox Substance ID:DTXSID50431547
Nikkaji Number:J1.594.314I
Wikidata:Q82245457
Mol file:42829-08-3.mol

Synonyms:5-(4-chlorophenyl)pentan-2-one;42829-08-3;SCHEMBL2656163;DTXSID50431547;5-(4-Chlorophenyl)-2-pentanone;MGTUDQGDJPSJRA-UHFFFAOYSA-N;AKOS006323088

Suppliers and Price of 5-(4-Chlorophenyl)pentan-2-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of 5-(4-Chlorophenyl)pentan-2-one

Chemical Property:

XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:196.0654927
Heavy Atom Count:13
Complexity:160

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)CCCC1=CC=C(C=C1)Cl

Technology Process of 5-(4-Chlorophenyl)pentan-2-one

There total 2 articles about 5-(4-Chlorophenyl)pentan-2-one 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:

: 106-39-8
bromochlorobenzene

: 111957-98-3,625-31-0
Pent-4-en-2-ol

: 42829-08-3
5-(4-chlorophenyl)pentan-2-one

Guidance literature:: With lithium acetate; tetrabutyl-ammonium chloride; palladium diacetate; lithium chloride; In N,N-dimethyl-formamide; at 100 ℃; for 30h; Inert atmosphere;

Reference yield:

: 6529-53-9
1-(2-bromoethyl)-4-chlorobenzene

: 141-97-9
ethyl acetoacetate

: 42829-08-3
5-(4-chlorophenyl)pentan-2-one

Guidance literature:: Yield given. Multistep reaction;
DOI:10.1021/jo00085a033

Reference yield: 91.0%

: 42829-08-3
5-(4-chlorophenyl)pentan-2-one

: (E)-1-(4-chlorophenyl)pent-2-ene-1,4-dione

Guidance literature:: With oxygen; copper diacetate; palladium diacetate; trifluoroacetic acid; In dimethyl sulfoxide; at 80 ℃; for 48h;
DOI:10.1021/acs.orglett.0c04174