1-(4-Trifluoromethyl-phenyl)-pentan-1-one

Base Information

Chemical Name:1-(4-Trifluoromethyl-phenyl)-pentan-1-one
CAS No.:42916-66-5
Molecular Formula:C12H13F3O
Molecular Weight:230.23
Hs Code.:2914700090
DSSTox Substance ID:DTXSID70478636
Nikkaji Number:J2.071.131K
Wikidata:Q82312135
Mol file:42916-66-5.mol

Synonyms:42916-66-5;1-(4-TRIFLUOROMETHYL-PHENYL)-PENTAN-1-ONE;1-4-(Trifluoromethylphenyl)pentan-1-one;1-[4-(TRIFLUOROMETHYL)PHENYL]PENTAN-1-ONE;1-(4-(Trifluoromethyl)phenyl)pentan-1-one;1-(4-Trifluoromethylphenyl)pentan-1-one;1-Pentanone, 1-[4-(trifluoromethyl)phenyl]-;SCHEMBL2634195;DTXSID70478636;1-(4-Trifluoromethyl-phenyl)-pentan;MFCD09031805;AKOS015966146;BS-24988;CS-0210430;N12671;A1-01844

Suppliers and Price of 1-(4-Trifluoromethyl-phenyl)-pentan-1-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

TRC
1-(4-Trifluoromethylphenyl)pentan-1-one
250mg
$ 140.00

Rieke Metals
1-(4-Trifluoromethyl-phenyl)-pentan-1-one
5g
$ 1328.00

Rieke Metals
1-(4-Trifluoromethyl-phenyl)-pentan-1-one
1g
$ 527.00

Medical Isotopes, Inc.
1-(4-Trifluoromethylphenyl)pentan-1-one
250 mg
$ 650.00

Crysdot
1-(4-(Trifluoromethyl)phenyl)pentan-1-one 95+%
5g
$ 923.00

American Custom Chemicals Corporation
1-(4-TRIFLUOROMETHYL-PHENYL)-PENTAN-1-ONE 95.00%
5MG
$ 497.02

AK Scientific
1-4-(Trifluoromethylphenyl)pentan-1-one
1g
$ 451.00

Total 7 raw suppliers

Chemical Property of 1-(4-Trifluoromethyl-phenyl)-pentan-1-one

Chemical Property:

Melting Point:33-35o C
PSA：17.07000
LogP:4.07830
Storage Temp.:Room Temperature
Solubility.:Chloroform (Sparingly), Methanol (Slightly)
XLogP3:3.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:230.09184952
Heavy Atom Count:16
Complexity:227

Purity/Quality:

99.3% ^*data from raw suppliers

1-(4-Trifluoromethylphenyl)pentan-1-one ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC(=O)C1=CC=C(C=C1)C(F)(F)F
Uses 1-(4-Trifluoromethylphenyl)pentan-1-one is a derivative of Valerophenone (V091450); an inhibitor of the enzyme carbonyl reductase. 1-(4-Trifluoromethylphenyl)pentan-1-one is also used as a reagent in the synthesis of 5,5-diarylpentadienamides as orally available TRPV1 antagonists for treatment of neuropathic pain.

Technology Process of 1-(4-Trifluoromethyl-phenyl)-pentan-1-one

There total 15 articles about 1-(4-Trifluoromethyl-phenyl)-pentan-1-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: 94.0%

: 110-62-3
pentanal

: 455-13-0
4-Iodobenzotrifluoride

: 42916-66-5
1-(4-(trifluoromethyl)phenyl)pentan-1-one

Guidance literature:: With caesium carbonate; In 1,4-dioxane; for 6h; Reflux;
DOI:10.1002/aoc.4096

Reference yield: 93.0%

: 455-24-3
4-trifluoromethylbenzoic acid

: 693-04-9
butyl magnesium bromide

: 42916-66-5
1-(4-(trifluoromethyl)phenyl)pentan-1-one

Guidance literature:: 4-trifluoromethylbenzoic acid; With tert-butylmagnesium chloride; In tetrahydrofuran; toluene; at 0 ℃; for 0.25h; Inert atmosphere;

butyl magnesium bromide; With diisopropylaminomagnesium chloride lithium chloride; In tetrahydrofuran; diethyl ether; toluene; at 0 - 20 ℃; for 3.25h; Inert atmosphere; Sonication;
DOI:10.1021/acs.orglett.9b02899