1H-Pyrazolo[3,4-c]pyridine-3-carbonitrile

Base Information

• Chemical Name: 1H-Pyrazolo[3,4-c]pyridine-3-carbonitrile
• CAS No.: 245325-34-2
• Molecular Formula: C₇H₄N₄
• Molecular Weight: 144.136
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10571877
• Nikkaji Number: J1.130.242D
• Wikidata: Q82460060
• Mol file: 245325-34-2.mol

Synonyms:1H-Pyrazolo[3,4-c]pyridine-3-carbonitrile;245325-34-2;3-CYANO-1H-PYRAZOLO[3,4-C]PYRIDINE;MFCD13176780;DTXSID10571877;VJA32534;AKOS016006122;PB13573;BS-42764;SY322434;CS-0052516;1H-Pyrazolo[3,4-c]pyridine-3-carbonitrile(9CI);A877882

Chemical Property of 1H-Pyrazolo[3,4-c]pyridine-3-carbonitrile

Chemical Property:

• PSA: 65.36000
• LogP: 0.82958
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 144.043596145
• Heavy Atom Count: 11
• Complexity: 194

Purity/Quality:

97% ^*data from raw suppliers

1H-Pyrazolo[3,4-c]pyridine-3-carbonitrile 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC2=C1C(=NN2)C#N

Technology Process of 1H-Pyrazolo[3,4-c]pyridine-3-carbonitrile

There total 4 articles about 1H-Pyrazolo[3,4-c]pyridine-3-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: 70.0%

sodium cyanide (143-33-9,25596-52-5) + 1H-pyrazolo[3,4-c]pyridine-3-diazonium; hydroxide → 3-cyano-1H-pyrazolo[3,4-c]pyridine (245325-34-2)

Guidance literature:

With hydrogenchloride; potassium chloride; copper(l) cyanide; pH=1;

Reference yield:

1H-pyrazolo[3,4-c]pyridin-3-amine (76006-17-2) → 3-cyano-1H-pyrazolo[3,4-c]pyridine (245325-34-2)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. sodium nitrite; aq. sulfuric acid / 0 °C

2: 70 percent / cuprous cyanide; 1M KCl; 1N HCl / pH 1

With hydrogenchloride; sulfuric acid; potassium chloride; copper(l) cyanide; sodium nitrite; 1: Diazotization / 2: Substitution;

Reference yield:

3-Nitro-1H-pyrazolo<3,4-c>pyridine (76006-15-0) → 3-cyano-1H-pyrazolo[3,4-c]pyridine (245325-34-2)

Guidance literature:

Multi-step reaction with 3 steps

1: aq. hydrochloric acid; stannous chloride / Heating

2: aq. sodium nitrite; aq. sulfuric acid / 0 °C

3: 70 percent / cuprous cyanide; 1M KCl; 1N HCl / pH 1

With hydrogenchloride; sulfuric acid; potassium chloride; copper(l) cyanide; tin(ll) chloride; sodium nitrite; 1: Reduction / 2: Diazotization / 3: Substitution;

upstream raw materials:

sodium cyanide

1H-pyrazolo[3,4-c]pyridin-3-amine

3-Nitro-1H-pyrazolo<3,4-c>pyridine

1H-pyrazolo[3,4-c]pyridine

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