Hexaprofen

Base Information

Chemical Name:Hexaprofen
CAS No.:24645-20-3
Molecular Formula:C15H20 O2
Molecular Weight:232.323
Hs Code.:2916399090
European Community (EC) Number:246-379-8
UNII:H2F4OV65RN
DSSTox Substance ID:DTXSID50865166
Nikkaji Number:J19.894C
Wikidata:Q27279554
NCI Thesaurus Code:C83751
ChEMBL ID:CHEMBL244138
Mol file:24645-20-3.mol

Synonyms:2-(4'-cyclohexylphenyl)propionic acid;BTS 13,622;BTS 13622;hexaprofen

Suppliers and Price of Hexaprofen

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

American Custom Chemicals Corporation
HEXAPROFEN 95.00%
5MG
$ 495.29

Total 13 raw suppliers

Chemical Property of Hexaprofen

Chemical Property:

Vapor Pressure:2.35E-06mmHg at 25°C
Melting Point:109.8-111.3 °C
Boiling Point:377.1°Cat760mmHg
PKA:4.43±0.10(Predicted)
Flash Point:273.9°C
PSA：37.30000
Density:1.078g/cm³
LogP:3.92240
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:232.146329876
Heavy Atom Count:17
Complexity:248

Purity/Quality:

99% ^*data from raw suppliers

HEXAPROFEN 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C1=CC=C(C=C1)C2CCCCC2)C(=O)O

Technology Process of Hexaprofen

There total 6 articles about Hexaprofen 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: 92.0%

: 211049-74-0
methyl 2-[4-(cyclohexyl)phenyl]propanoate

: 24645-20-3
α-(p-cyclohexylphenyl)-propionic acid

Guidance literature:: With potassium hydroxide; In ethanol; at 20 ℃; for 4h;
DOI:10.1021/jm061469t

Reference yield: 35.0%

: 211049-71-7
2-Chloro-1-(4-cyclohexyl-phenyl)-propan-1-one

: 59721-67-4
4'-cyclohexylpropiophenone

: 24645-20-3
α-(p-cyclohexylphenyl)-propionic acid

Guidance literature:: In water; acetone; for 20h; Irradiation;

Reference yield:

: 859828-48-1
methyl 2-{4-(trifluoromethanesulfonyloxy)phenyl}propanoate

: 24645-20-3
α-(p-cyclohexylphenyl)-propionic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 77 percent / LiCl; Pd(PPh₃)4 / tetrahydrofuran / Heating

2: 92 percent / aq. KOH / ethanol / 4 h / 20 °C

With potassium hydroxide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; lithium chloride; In tetrahydrofuran; ethanol;
DOI:10.1021/jm061469t