4,5-Isoxazoledicarboxylic acid, 4,5-dihydro-3-phenyl-, diethyl ester

Base Information

Chemical Name:4,5-Isoxazoledicarboxylic acid, 4,5-dihydro-3-phenyl-, diethyl ester
CAS No.:91154-16-4
Molecular Formula:C₁₅H₁₇NO₅
Molecular Weight:291.304
Hs Code.:
DSSTox Substance ID:DTXSID10482651

Synonyms:91154-16-4;4,5-Isoxazoledicarboxylic acid, 4,5-dihydro-3-phenyl-, diethyl ester;DTXSID10482651

Suppliers and Price of 4,5-Isoxazoledicarboxylic acid, 4,5-dihydro-3-phenyl-, diethyl ester

Supply Marketing:

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

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Chemical Property of 4,5-Isoxazoledicarboxylic acid, 4,5-dihydro-3-phenyl-, diethyl ester

Chemical Property:

PSA：74.19000
LogP:0.96750
XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:291.11067264
Heavy Atom Count:21
Complexity:414

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1C(ON=C1C2=CC=CC=C2)C(=O)OCC

Technology Process of 4,5-Isoxazoledicarboxylic acid, 4,5-dihydro-3-phenyl-, diethyl ester

There total 9 articles about 4,5-Isoxazoledicarboxylic acid, 4,5-dihydro-3-phenyl-, diethyl ester 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: 82.0%

: 5585-14-8
3,4-diphenyl-furazan 2-oxide

: 623-91-6
diethyl Fumarate

: 57065-93-7,57065-94-8,91154-16-4
(4RS,5RS)-3-phenyl-4,5-dihydro-isoxazole-4,5-dicarboxylic acid diethyl ester

Guidance literature:: 3,4-diphenyl-furazan 2-oxide; Flash vacuum pyrolysis;

diethyl Fumarate; In toluene; Inert atmosphere;
DOI:10.3998/ark.5550190.0011.a04

Reference yield: 50.0%

: 932-90-1
Benzaldoxime

: 623-91-6
diethyl Fumarate

: 91154-16-4
3-Phenyl-4,5-dihydro-isoxazole-4,5-dicarboxylic acid diethyl ester

Guidance literature:: With sodium bromite; tributyltin chloride; In dichloromethane; water; Ambient temperature;
DOI:10.1016/S0040-4039(00)99302-X

Reference yield:

: 932-90-1
Benzaldoxime

: 623-91-6
diethyl Fumarate

: 57065-93-7,57065-94-8,91154-16-4
(4RS,5RS)-3-phenyl-4,5-dihydro-isoxazole-4,5-dicarboxylic acid diethyl ester

: 57065-93-7,57065-94-8,91154-16-4
(4SR,5RS)-3-phenyl-4,5-dihydro-isoxazole-4,5-dicarboxylic acid diethyl ester

Guidance literature:: With 2,6-dimethylpyridine; tert-butylhypochlorite; sodium iodide; In 1,4-dioxane; at 20 ℃; for 24h; optical yield given as %de; diastereoselective reaction; Inert atmosphere;
DOI:10.1021/ol2010616