5-Phenyl-7-methylpyrazolo[4,3-c][1,2,5]oxadiazine-3(5H)-one

Base Information

Chemical Name:5-Phenyl-7-methylpyrazolo[4,3-c][1,2,5]oxadiazine-3(5H)-one
CAS No.:58663-02-8
Molecular Formula:C11H8N4O2
Molecular Weight:228.21
Hs Code.:
DSSTox Substance ID:DTXSID40455853
Nikkaji Number:J1.587.430I
Wikidata:Q82278006

Synonyms:58663-02-8;CTK1E9198;DTXSID40455853;5-Phenyl-7-methylpyrazolo[4,3-c][1,2,5]oxadiazine-3(5H)-one

Suppliers and Price of 5-Phenyl-7-methylpyrazolo[4,3-c][1,2,5]oxadiazine-3(5H)-one

Supply Marketing:

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

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Chemical Property of 5-Phenyl-7-methylpyrazolo[4,3-c][1,2,5]oxadiazine-3(5H)-one

Chemical Property:

XLogP3:1.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:228.06472551
Heavy Atom Count:17
Complexity:446

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NN(C2=NC(=O)ON=C12)C3=CC=CC=C3

Technology Process of 5-Phenyl-7-methylpyrazolo[4,3-c][1,2,5]oxadiazine-3(5H)-one

There total 4 articles about 5-Phenyl-7-methylpyrazolo[4,3-c][1,2,5]oxadiazine-3(5H)-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: 94.0%

: 52943-85-8
5-amino-3-methyl-4-nitroso-1-phenylpyrazole

: 503-38-8
trichloromethyl chloroformate

: 58663-02-8
5-phenyl-7-methylpyrazolo<4,3-c><1,2,5>oxadiazin-3(5H)-one

Guidance literature:: In tetrahydrofuran; for 0.5h; Ambient temperature;
DOI:10.1002/jhet.5570230255

Reference yield:

: 1131-18-6
1-Phenyl-3-methyl-5-aminopyrazole

: 58663-02-8
5-phenyl-7-methylpyrazolo<4,3-c><1,2,5>oxadiazin-3(5H)-one

Guidance literature:: Multi-step reaction with 2 steps

1: 36 percent / NaNO₂, aq. HCl / ethanol / Ambient temperature

2: 79 percent / tetrahydrofuran / Ambient temperature

With hydrogenchloride; sodium nitrite; In tetrahydrofuran; ethanol;
DOI:10.1021/jo00074a058

Reference yield:

: 100-63-0
phenylhydrazine

: 58663-02-8
5-phenyl-7-methylpyrazolo<4,3-c><1,2,5>oxadiazin-3(5H)-one

Guidance literature:: Multi-step reaction with 3 steps

1: 70 percent / 1 N aq. HCl / 4 h / Heating

2: 36 percent / NaNO₂, aq. HCl / ethanol / Ambient temperature

3: 79 percent / tetrahydrofuran / Ambient temperature

With hydrogenchloride; sodium nitrite; In tetrahydrofuran; ethanol;
DOI:10.1021/jo00074a058