Xenipentone

Base Information

Chemical Name:Xenipentone
CAS No.:55845-78-8
Molecular Formula:C₁₇H₁₆O
Molecular Weight:236.313
Hs Code.:
UNII:GP581VM303
DSSTox Substance ID:DTXSID901023979
Wikidata:Q27279215
NCI Thesaurus Code:C66664
Metabolomics Workbench ID:155727
ChEMBL ID:CHEMBL2104473
Mol file:55845-78-8.mol

Synonyms:Xenipentone;55845-78-8;Xenipentone [INN];Xenipentonum;(E)-4-(4-Biphenylyl)-3-penten-2-one;UNII-GP581VM303;GP581VM303;(E)-4-(4-Biphenylyl)-3-penten-2-on;RP 48-482;(E)-4-(4-phenylphenyl)pent-3-en-2-one;RP 4;SCHEMBL2110427;CHEMBL2104473;DTXSID901023979;AKOS004907914;Q27279215

Suppliers and Price of Xenipentone

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
XENIPENTONE 95.00%
5MG
$ 495.61

Total 6 raw suppliers

Chemical Property of Xenipentone

Chemical Property:

Vapor Pressure:2.03E-06mmHg at 25°C
Boiling Point:394.1°Cat760mmHg
Flash Point:150.9°C
PSA：17.07000
Density:1.031g/cm³
LogP:4.34590
XLogP3:4.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:236.120115130
Heavy Atom Count:18
Complexity:302

Purity/Quality:

99% ^*data from raw suppliers

XENIPENTONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=CC(=O)C)C1=CC=C(C=C1)C2=CC=CC=C2
Isomeric SMILES:C/C(=C\C(=O)C)/C1=CC=C(C=C1)C2=CC=CC=C2
Therapeutic Function Antiinflammatory

Technology Process of Xenipentone

There total 6 articles about Xenipentone 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%

: (E)-3-([1,1'-biphenyl]-4-yl)-N-methoxy-N-methylbut-2-enamide

: 75-16-1
methylmagnesium bromide

: 55845-78-8
(E)-4-(4-biphenylyl)-3-penten-2-one

Guidance literature:: In tetrahydrofuran; at -30 - -5 ℃; for 0.5h;
DOI:10.1039/c8ob00731d

Reference yield:

: 71417-13-5
4-(p-biphenylyl)-4-hydroxypentan-2-one

: 55845-78-8
(E)-4-(4-biphenylyl)-3-penten-2-one

Guidance literature:: With hydrogenchloride; In water; at 60 ℃; for 1h;
DOI:10.1021/acs.joc.6b01899

Reference yield:

: 92-91-1
biphenyl-4-acetaldehyde

: 55845-78-8
(E)-4-(4-biphenylyl)-3-penten-2-one

Guidance literature:: Multi-step reaction with 3 steps

1.1: sodium hydride / mineral oil; tetrahydrofuran / 0.5 h / 20 °C / Inert atmosphere

1.2: 48 h / 0 - 20 °C / Inert atmosphere

2.1: isopropylmagnesium chloride / tetrahydrofuran / -5 °C / Inert atmosphere

3.1: tetrahydrofuran / 0.5 h / -30 - -5 °C

With isopropylmagnesium chloride; sodium hydride; In tetrahydrofuran; mineral oil;
DOI:10.1039/c8ob00731d