Isoxazole, 5-phenyl-3-(trifluoromethyl)-

Base Information

Chemical Name:Isoxazole, 5-phenyl-3-(trifluoromethyl)-
CAS No.:62847-45-4
Molecular Formula:C10H6F3NO
Molecular Weight:213.159
Hs Code.:
ChEMBL ID:CHEMBL3277008
DSSTox Substance ID:DTXSID30494837
Nikkaji Number:J897.707K
Wikidata:Q82342500

Synonyms:62847-45-4;5-phenyl-3-(trifluoromethyl)isoxazole;Isoxazole, 5-phenyl-3-(trifluoromethyl)-;5-Phenyl-3-(trifluoromethyl)-1,2-oxazole;CHEMBL3277008;DTXSID30494837;UQLBVBMSKKAGAA-UHFFFAOYSA-N

Suppliers and Price of Isoxazole, 5-phenyl-3-(trifluoromethyl)-

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of Isoxazole, 5-phenyl-3-(trifluoromethyl)-

Chemical Property:

XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:213.04014830
Heavy Atom Count:15
Complexity:213

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C2=CC(=NO2)C(F)(F)F

Technology Process of Isoxazole, 5-phenyl-3-(trifluoromethyl)-

There total 10 articles about Isoxazole, 5-phenyl-3-(trifluoromethyl)- 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%

: 44637-25-4
2,2,2-trifluoro-N-hydroxyacetimidoyl bromide

: 536-74-3
phenylacetylene

: 62847-45-4
5-phenyl-3-(trifluoromethyl)isoxazole

Guidance literature:: With triethylamine; In toluene; for 10h; Ambient temperature;
DOI:10.1246/bcsj.57.2184

Reference yield: 88.0%

: 753-90-2
trifluoroethylamine

: 536-74-3
phenylacetylene

: 62847-45-4
5-phenyl-3-(trifluoromethyl)isoxazole

Guidance literature:: With copper(l) iodide; tert.-butylnitrite; acetic acid; zinc dibromide; In chloroform; at 20 ℃; for 24h; Schlenk technique; Inert atmosphere;
DOI:10.1021/acs.orglett.7b04028