1-Phenyl-1H-pyrazolo[3,4-d]pyridazine-7-carbonitrile

Base Information

Chemical Name:1-Phenyl-1H-pyrazolo[3,4-d]pyridazine-7-carbonitrile
CAS No.:136819-79-9
Molecular Formula:C₁₂H₇N₅
Molecular Weight:221.221
Hs Code.:
DSSTox Substance ID:DTXSID80567949
Wikidata:Q82454011

Synonyms:136819-79-9;1-Phenyl-1H-pyrazolo[3,4-d]pyridazine-7-carbonitrile;1-phenylpyrazolo[3,4-d]pyridazine-7-carbonitrile;DTXSID80567949

Suppliers and Price of 1-Phenyl-1H-pyrazolo[3,4-d]pyridazine-7-carbonitrile

Supply Marketing:

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

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Chemical Property of 1-Phenyl-1H-pyrazolo[3,4-d]pyridazine-7-carbonitrile

Chemical Property:

XLogP3:1.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:221.07014524
Heavy Atom Count:17
Complexity:316

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)N2C3=C(N=NC=C3C=N2)C#N

Technology Process of 1-Phenyl-1H-pyrazolo[3,4-d]pyridazine-7-carbonitrile

There total 4 articles about 1-Phenyl-1H-pyrazolo[3,4-d]pyridazine-7-carbonitrile 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: 47.0%

: 151-50-8
potassium cyanide

: 136819-78-8
7-(Methylsulfonyl)-1-phenyl-1H-pyrazolo<3,4-d>pyridazine

: 136819-79-9
1-Phenyl-1H-pyrazolo<3,4-d>pyridazine-7-carbonitrile

Guidance literature:: In dimethyl sulfoxide; for 1.5h;
DOI:10.1248/cpb.39.1713

Reference yield:

: 98626-23-4
7-chloro-1-phenyl-1H-pyrazolo<3,4-d>pyridazine

: 136819-79-9
1-Phenyl-1H-pyrazolo<3,4-d>pyridazine-7-carbonitrile

Guidance literature:: Multi-step reaction with 3 steps

1: 90 percent / 15percent NaOH / dimethylformamide / 1 h / 60 °C

2: 92 percent / 3percent aq. KMnO₄ / acetic acid / 0.5 h

3: 47 percent / dimethylsulfoxide / 1.5 h

With sodium hydroxide; potassium permanganate; In acetic acid; dimethyl sulfoxide; N,N-dimethyl-formamide;
DOI:10.1248/cpb.39.1713

Reference yield:

: 136819-76-6
7-Mercapto-1-phenyl-1H-pyrazolo<3,4-d>pyridazine

: 136819-79-9
1-Phenyl-1H-pyrazolo<3,4-d>pyridazine-7-carbonitrile

Guidance literature:: Multi-step reaction with 3 steps

1: 92 percent / aq. KOH / 0.25 h

2: 92 percent / 3percent aq. KMnO₄ / acetic acid / 0.5 h

3: 47 percent / dimethylsulfoxide / 1.5 h

With potassium permanganate; In potassium hydroxide; acetic acid; dimethyl sulfoxide;
DOI:10.1248/cpb.39.1713