Isoxazole, 3-(4-chlorophenyl)-5-[(phenylseleno)methyl]-

Base Information

Chemical Name:Isoxazole, 3-(4-chlorophenyl)-5-[(phenylseleno)methyl]-
CAS No.:833462-33-2
Molecular Formula:C16H12ClNOSe
Molecular Weight:348.69
Hs Code.:
DSSTox Substance ID:DTXSID20479577
Wikidata:Q82313691

Synonyms:833462-33-2;Isoxazole, 3-(4-chlorophenyl)-5-[(phenylseleno)methyl]-;DTXSID20479577;3-(4-Chlorophenyl)-5-((phenylselanyl)methyl)isoxazole

Suppliers and Price of Isoxazole, 3-(4-chlorophenyl)-5-[(phenylseleno)methyl]-

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 Isoxazole, 3-(4-chlorophenyl)-5-[(phenylseleno)methyl]-

Chemical Property:

Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:348.97726
Heavy Atom Count:20
Complexity:290

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)[Se]CC2=CC(=NO2)C3=CC=C(C=C3)Cl

Technology Process of Isoxazole, 3-(4-chlorophenyl)-5-[(phenylseleno)methyl]-

There total 2 articles about Isoxazole, 3-(4-chlorophenyl)-5-[(phenylseleno)methyl]- 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: 76.0%

: 1596-42-5
(prop-2-yn-1-ylselanyl)benzene

: 28123-63-9
4-chlorobenzohydroximoyl chloride

: 833462-33-2
3-(4-chlorophenyl)-5-phenylselenomethylisoxazole

Guidance literature:: With triethylamine; In dichloromethane; at 20 ℃; for 6h;
DOI:10.1016/j.tet.2004.10.071

Reference yield:

: 1666-13-3
diphenyl diselenide

: 833462-33-2
3-(4-chlorophenyl)-5-phenylselenomethylisoxazole

Guidance literature:: Multi-step reaction with 2 steps

1.1: NaBH₄ / tetrahydrofuran; ethanol / 1 h / 20 °C

1.2: 98 percent / ethanol; tetrahydrofuran / 2 h / 20 °C

2.1: 76 percent / triethylamine / CH₂Cl₂ / 6 h / 20 °C

With sodium tetrahydroborate; triethylamine; In tetrahydrofuran; ethanol; dichloromethane;
DOI:10.1016/j.tet.2004.10.071

Reference yield:

: 833462-33-2
3-(4-chlorophenyl)-5-phenylselenomethylisoxazole

: 3-(4-chloro-phenyl)-5-(1-phenylselanyl-but-3-enyl)-isoxazole

Guidance literature:: 3-(4-chlorophenyl)-5-phenylselenomethylisoxazole; With lithium diisopropyl amide; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h;

CH₂=CHCH₂Hal; In tetrahydrofuran; hexane; at -78 - -50 ℃; for 1h;
DOI:10.1016/j.tet.2004.10.071