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

Base Information

Chemical Name:Isoxazole, 3-(4-methylphenyl)-5-[(phenylseleno)methyl]-
CAS No.:833462-32-1
Molecular Formula:C17H15NOSe
Molecular Weight:328.272
Hs Code.:
DSSTox Substance ID:DTXSID60479576
Nikkaji Number:J2.132.276H
Wikidata:Q82313689

Synonyms:833462-32-1;5-((Phenylselanyl)methyl)-3-(p-tolyl)isoxazole;Isoxazole, 3-(4-methylphenyl)-5-[(phenylseleno)methyl]-;DTXSID60479576

Suppliers and Price of Isoxazole, 3-(4-methylphenyl)-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
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price

Total 1 raw suppliers

Chemical Property of Isoxazole, 3-(4-methylphenyl)-5-[(phenylseleno)methyl]-

Chemical Property:

Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:329.03189
Heavy Atom Count:20
Complexity:285

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:CC1=CC=C(C=C1)C2=NOC(=C2)C[Se]C3=CC=CC=C3

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

There total 3 articles about Isoxazole, 3-(4-methylphenyl)-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: 78.0%

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

: 36288-37-6
N-hydroxy-4-methylbenzenecarboximidoyl chloride

: 833462-32-1
3-(4-methylphenyl)-5-phenylselenomethylisoxazole

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

Reference yield:

: 3235-02-7,3717-15-5,3717-16-6,140461-26-3,140461-27-4
p-methylbenzaldehyde oxime

: 833462-32-1
3-(4-methylphenyl)-5-phenylselenomethylisoxazole

Guidance literature:: Multi-step reaction with 2 steps

1: NCS / 3 h / 20 °C

2: 78 percent / triethylamine / CH₂Cl₂ / 6 h / 20 °C

With N-chloro-succinimide; triethylamine; In dichloromethane;
DOI:10.1016/j.tet.2004.10.071

Reference yield:

: 1666-13-3
diphenyl diselenide

: 833462-32-1
3-(4-methylphenyl)-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: 78 percent / triethylamine / CH₂Cl₂ / 6 h / 20 °C

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