7H-Pyrano[4,3-d]isoxazol-7-one, 3-(2,6-dichlorophenyl)-4,5-dihydro-

Base Information

Chemical Name:7H-Pyrano[4,3-d]isoxazol-7-one, 3-(2,6-dichlorophenyl)-4,5-dihydro-
CAS No.:156496-85-4
Molecular Formula:C12H7Cl2NO3
Molecular Weight:284.098
Hs Code.:
DSSTox Substance ID:DTXSID20454783
Nikkaji Number:J1.541.074D
Wikidata:Q82276514
Mol file:156496-85-4.mol

Synonyms:156496-85-4;3-(2,6-Dichlorophenyl)-4H-pyrano[4,3-d]isoxazol-7(5H)-one;7H-Pyrano[4,3-d]isoxazol-7-one, 3-(2,6-dichlorophenyl)-4,5-dihydro-;DTXSID20454783;3-(2,6-Dichlorophenyl)-4,5-dihydro-7H-pyrano[4,3-d]isoxazole-7-one

Suppliers and Price of 7H-Pyrano[4,3-d]isoxazol-7-one, 3-(2,6-dichlorophenyl)-4,5-dihydro-

Supply Marketing:

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

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Chemical Property of 7H-Pyrano[4,3-d]isoxazol-7-one, 3-(2,6-dichlorophenyl)-4,5-dihydro-

Chemical Property:

XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:282.9802985
Heavy Atom Count:18
Complexity:331

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1COC(=O)C2=C1C(=NO2)C3=C(C=CC=C3Cl)Cl

Technology Process of 7H-Pyrano[4,3-d]isoxazol-7-one, 3-(2,6-dichlorophenyl)-4,5-dihydro-

There total 3 articles about 7H-Pyrano[4,3-d]isoxazol-7-one, 3-(2,6-dichlorophenyl)-4,5-dihydro- 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: 50.0%

: 6579-27-7
2,6-dichlorobenzohydroximoyl chloride

: 104184-64-7
3-Bromo-5,6-dihydro-2H-pyran-2-one

: 156496-85-4
3-(2,6-Dichlorophenyl)-4,5-dihydro-7H-pyrano[4,3-d]isoxazol-7-one

Guidance literature:: With triethylamine; In tetrahydrofuran; at 20 - 67 ℃; for 4h;
DOI:10.1039/b008081k

Reference yield: 50.0%

: 104184-64-7
3-Bromo-5,6-dihydro-2H-pyran-2-one

: 2,6-dichlorobenzohydroximinoyl chloride

: 156496-85-4
3-(2,6-Dichlorophenyl)-4,5-dihydro-7H-pyrano[4,3-d]isoxazol-7-one

Guidance literature:: With triethylamine; In tetrahydrofuran; r.t., 1 h; reflux, 3 h;
DOI:10.1016/S0040-4039(00)73248-5

Reference yield:

: 3393-45-1
5,6-dihydro-pyran-2-one

: 156496-85-4
3-(2,6-Dichlorophenyl)-4,5-dihydro-7H-pyrano[4,3-d]isoxazol-7-one

Guidance literature:: Multi-step reaction with 2 steps

1: 75 percent / bromine, triethylamine / CH₂Cl₂ / Ambient temperature

2: 50 percent / triethyl amine / tetrahydrofuran / r.t., 1 h; reflux, 3 h

With bromine; triethylamine; In tetrahydrofuran; dichloromethane;
DOI:10.1016/S0040-4039(00)73248-5