3-Methyl-4-(3-nitrophenyl)isoxazolo[3,4-d]pyridazin-7(6H)-one

Base Information

Chemical Name:3-Methyl-4-(3-nitrophenyl)isoxazolo[3,4-d]pyridazin-7(6H)-one
CAS No.:189306-89-6
Molecular Formula:C12H8N4O4
Molecular Weight:272.22
Hs Code.:
DSSTox Substance ID:DTXSID30442530
Wikidata:Q82259846

Synonyms:189306-89-6;3-Methyl-4-(3-nitrophenyl)isoxazolo[3,4-d]pyridazin-7(6H)-one;CTK0A3059;DTXSID30442530

Suppliers and Price of 3-Methyl-4-(3-nitrophenyl)isoxazolo[3,4-d]pyridazin-7(6H)-one

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
Packaging
price

Total 1 raw suppliers

Chemical Property of 3-Methyl-4-(3-nitrophenyl)isoxazolo[3,4-d]pyridazin-7(6H)-one

Chemical Property:

XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:272.05455475
Heavy Atom Count:20
Complexity:461

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C2C(=NNC(=O)C2=NO1)C3=CC(=CC=C3)[N+](=O)[O-]

Technology Process of 3-Methyl-4-(3-nitrophenyl)isoxazolo[3,4-d]pyridazin-7(6H)-one

There total 2 articles about 3-Methyl-4-(3-nitrophenyl)isoxazolo[3,4-d]pyridazin-7(6H)-one 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: 87.0%

: 189306-87-4
5-Methyl-4-(3-nitro-benzoyl)-isoxazole-3-carboxylic acid ethyl ester

: 189306-89-6
3-Methyl-4-(3-nitro-phenyl)-6H-isoxazolo[3,4-d]pyridazin-7-one

Guidance literature:: With hydrazine hydrate; In ethanol; for 1h;
DOI:10.1021/jm970105l

Reference yield:

: 5435-66-5
1-(3-nitro-phenyl)-butane-1,3-dione

: 189306-89-6
3-Methyl-4-(3-nitro-phenyl)-6H-isoxazolo[3,4-d]pyridazin-7-one

Guidance literature:: Multi-step reaction with 2 steps

1: 67 percent / NaOEt / ethanol / 1 h

2: 87 percent / hydrazine hydrate / ethanol / 1 h

With sodium ethanolate; hydrazine hydrate; In ethanol;
DOI:10.1021/jm970105l