Isoxazole, 3-methyl-4-nitro-5-[2-(4-nitrophenyl)ethenyl]-

Base Information

Chemical Name:Isoxazole, 3-methyl-4-nitro-5-[2-(4-nitrophenyl)ethenyl]-
CAS No.:78080-53-2
Molecular Formula:C12H9N3O5
Molecular Weight:275.221
Hs Code.:
DSSTox Substance ID:DTXSID00390615

Synonyms:DTXSID00390615;Isoxazole, 3-methyl-4-nitro-5-[2-(4-nitrophenyl)ethenyl]-

Suppliers and Price of Isoxazole, 3-methyl-4-nitro-5-[2-(4-nitrophenyl)ethenyl]-

Supply Marketing:

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

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Chemical Property of Isoxazole, 3-methyl-4-nitro-5-[2-(4-nitrophenyl)ethenyl]-

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:275.05422040
Heavy Atom Count:20
Complexity:395

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NOC(=C1[N+](=O)[O-])C=CC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of Isoxazole, 3-methyl-4-nitro-5-[2-(4-nitrophenyl)ethenyl]-

There total 3 articles about Isoxazole, 3-methyl-4-nitro-5-[2-(4-nitrophenyl)ethenyl]- 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: 100.0%

: 1123-49-5
3,5-dimethyl-4-nitroisoxazole

: 555-16-8
4-nitrobenzaldehdye

: 78080-53-2
3-Methyl-4-nitro-5-[(E)-2-(4-nitro-phenyl)-vinyl]-isoxazole

Guidance literature:: With pyrrolidine; In neat (no solvent); at 20 ℃; for 0.05h;
DOI:10.1039/c9ra04864b

Reference yield:

: 123-54-6,81235-32-7
acetylacetone

: 78080-53-2
3-Methyl-4-nitro-5-[(E)-2-(4-nitro-phenyl)-vinyl]-isoxazole

Guidance literature:: Multi-step reaction with 3 steps

1: hydroxylamine hydrochloride / water; ethanol / 1.5 h / Reflux

2: sulfuric acid; nitric acid / 0 - 20 °C

3: piperidine / ethanol / 65 °C

With piperidine; sulfuric acid; hydroxylamine hydrochloride; nitric acid; In ethanol; water;
DOI:10.1039/c3cc44059a

Reference yield:

: 300-87-8
3,5-dimethyl-1,2-oxazole

: 78080-53-2
3-Methyl-4-nitro-5-[(E)-2-(4-nitro-phenyl)-vinyl]-isoxazole

Guidance literature:: Multi-step reaction with 2 steps

1: sulfuric acid; nitric acid / 0 - 20 °C

2: piperidine / ethanol / 65 °C

With piperidine; sulfuric acid; nitric acid; In ethanol;
DOI:10.1039/c3cc44059a