4-Phenylisoxazole

Base Information

Chemical Name:4-Phenylisoxazole
CAS No.:2439-92-1
Molecular Formula:C9H7 N O
Molecular Weight:145.161
Hs Code.:2934999090
European Community (EC) Number:871-926-8
DSSTox Substance ID:DTXSID00372794
Nikkaji Number:J3.029.099B
Wikidata:Q82160677
ChEMBL ID:CHEMBL4172771
Mol file:2439-92-1.mol

Synonyms:4-Phenylisoxazole;2439-92-1;4-phenyl-1,2-oxazole;CHEMBL4172771;Isoxazole, 4-phenyl-;SCHEMBL3577755;DTXSID00372794;CAA43992;BDBM50321334;AKOS004901213;CS-0234067;FT-0692571;D85550;EN300-138480

Suppliers and Price of 4-Phenylisoxazole

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
4-phenyl-1,2-oxazole
100mg
$ 220.00

American Custom Chemicals Corporation
4-PHENYL-1,2-OXAZOLE 95.00%
5MG
$ 495.14

Total 7 raw suppliers

Chemical Property of 4-Phenylisoxazole

Chemical Property:

Vapor Pressure:0.00613mmHg at 25°C
Refractive Index:1.543
Boiling Point:281.3°Cat760mmHg
Flash Point:128.9°C
PSA：26.03000
Density:1.11g/cm³
LogP:2.34160
XLogP3:2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:145.052763847
Heavy Atom Count:11
Complexity:121

Purity/Quality:

99% ^*data from raw suppliers

4-phenyl-1,2-oxazole ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C2=CON=C2

Technology Process of 4-Phenylisoxazole

There total 8 articles about 4-Phenylisoxazole 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: 80.0%

: 26591-66-2
2-phenyl-1,3-propanedial

: 2439-92-1
4-phenylisoxazole

Guidance literature:: With hydroxylamine hydrochloride; In ethanol; for 2h; Reflux;
DOI:10.1021/acs.jmedchem.0c01968

Reference yield: 35.0%

: 119072-55-8,7188-38-7
tert-butylisonitrile

: 536-74-3
phenylacetylene

: 2439-92-1
4-phenylisoxazole

Guidance literature:: tert-butylisonitrile; phenylacetylene; With Ti(NMe₂)₂(dpma); cyclohexylamine; In toluene; at 100 ℃; for 24h; Inert atmosphere;

With hydroxylamine hydrochloride; In ethanol; toluene; at 25 ℃; for 16h; regioselective reaction; Inert atmosphere;
DOI:10.1016/j.tet.2011.11.043