3-Phenethylisoxazole

Base Information

Chemical Name:3-Phenethylisoxazole
CAS No.:66417-93-4
Molecular Formula:C₁₁H₁₁NO
Molecular Weight:173.214
Hs Code.:
DSSTox Substance ID:DTXSID60466825
Nikkaji Number:J1.988.766I
Wikidata:Q82293468

Synonyms:3-Phenethylisoxazole;66417-93-4;Isoxazole, 3-(2-phenylethyl)-;DTXSID60466825

Suppliers and Price of 3-Phenethylisoxazole

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

Total 1 raw suppliers

Chemical Property of 3-Phenethylisoxazole

Chemical Property:

XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:173.084063974
Heavy Atom Count:13
Complexity:143

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C=C1)CCC2=NOC=C2

Technology Process of 3-Phenethylisoxazole

There total 4 articles about 3-Phenethylisoxazole 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:

: polystyrene-supported vinyl selenide

: 1197-50-8
3-phenylpropanal oxime

: 66417-93-4
3-(2-phenylethyl)isoxazole

Guidance literature:: 3-phenylpropanal oxime; With N-chloro-succinimide; In chloroform; at 20 ℃; for 0.333333h;

polystyrene-supported vinyl selenide; With triethylamine; In dichloromethane; at 20 ℃; for 12h;

With dihydrogen peroxide; In tetrahydrofuran; at 20 ℃; for 0.5h; Further stages.;
DOI:10.1055/s-2006-942436

Reference yield:

: 35167-28-3
vinyl phenyl selenide

: 130735-52-3
3-Phenyl-propionitrile N-oxide

: 66417-93-4
3-(2-phenylethyl)isoxazole

Guidance literature:: vinyl phenyl selenide; 3-Phenyl-propionitrile N-oxide; With triethylamine; In chloroform; at 20 ℃; for 12h;

With dihydrogen peroxide; In chloroform; at 20 ℃; for 0.333333h;
DOI:10.1055/s-2003-44354

Reference yield:

: 1197-50-8
3-phenylpropanal oxime

: 66417-93-4
3-(2-phenylethyl)isoxazole

Guidance literature:: Multi-step reaction with 2 steps

1.1: N-chlorosuccinimide / CHCl₃ / 0.33 h / 20 °C

2.1: Et₃N / CHCl₃ / 12 h / 20 °C

2.2: aq. H₂O₂ / CHCl₃ / 0.33 h / 20 °C

With N-chloro-succinimide; triethylamine; In chloroform;
DOI:10.1055/s-2003-44354