Isoxazole, 4,5-dihydro-5-methyl-5-(nitromethyl)-3-phenyl-

Base Information

Chemical Name:Isoxazole, 4,5-dihydro-5-methyl-5-(nitromethyl)-3-phenyl-
CAS No.:61428-18-0
Molecular Formula:C11H12N2O3
Molecular Weight:220.228
Hs Code.:
DSSTox Substance ID:DTXSID20485739

Synonyms:61428-18-0;Isoxazole, 4,5-dihydro-5-methyl-5-(nitromethyl)-3-phenyl-;DTXSID20485739

Suppliers and Price of Isoxazole, 4,5-dihydro-5-methyl-5-(nitromethyl)-3-phenyl-

Supply Marketing:

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

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Chemical Property of Isoxazole, 4,5-dihydro-5-methyl-5-(nitromethyl)-3-phenyl-

Chemical Property:

XLogP3:1.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:220.08479225
Heavy Atom Count:16
Complexity:305

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(CC(=NO1)C2=CC=CC=C2)C[N+](=O)[O-]

Technology Process of Isoxazole, 4,5-dihydro-5-methyl-5-(nitromethyl)-3-phenyl-

There total 5 articles about Isoxazole, 4,5-dihydro-5-methyl-5-(nitromethyl)-3-phenyl- 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: 75.0%

: 1606-30-0
1-Nitro-2-methyl-1-propen

: 698-16-8
benzohydroximoyl chloride

: 61428-18-0
5-methyl-5-nitromethyl-3-phenyl-4,5-dihydro-isoxazole

Guidance literature:: In toluene; at 110 ℃;

Reference yield: 69.0%

: 1606-31-1
2-methyl-3-nitro-propene

: 698-16-8
benzohydroximoyl chloride

: 61428-18-0
5-methyl-5-nitromethyl-3-phenyl-4,5-dihydro-isoxazole

Guidance literature:: In toluene; at 110 ℃; for 7.5h;

Reference yield:

: 698-16-8
benzohydroximoyl chloride

: 61428-18-0
5-methyl-5-nitromethyl-3-phenyl-4,5-dihydro-isoxazole

Guidance literature:: Multi-step reaction with 2 steps

1: TEA / diethyl ether / 0.08 h

2: diethyl ether / 1.) RT, 12 h, 2.) reflux, 2 h

With TEA; In diethyl ether;