Pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Base Information

• Chemical Name: Pyrazolo[1,5-a]pyrimidine-3-carbonitrile
• CAS No.: 25939-87-1
• Molecular Formula: C7H4N4
• Molecular Weight: 144.13300
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40356058
• Nikkaji Number: J1.840.146K
• Wikidata: Q27462821
• ChEMBL ID: CHEMBL503917
• Mol file: 25939-87-1.mol

Synonyms:pyrazolo[1,5-a]pyrimidine-3-carbonitrile;25939-87-1;MFCD01927799;3-CYANOPYRAZOLO[1,5-A]PYRIMIDINE;pyrazolo(1,5-a)pyrimidine-3-carbonitrile;pyrazolo(1,5-a)-pyrimidine-3-carbonitrile;pyrazolo[1,5-a]-pyrimidine-3-carbonitrile;2vtm;CHEMBL503917;SCHEMBL4473978;BDBM24629;DTXSID40356058;BBL039004;STK312850;AKOS000310227;PB15702;pyrazolo[1,5-a]pyrimidin-3-yl cyanide;AS-33588;SY097386;CS-0048739;pyrazolo[1,5-a]pyrimidine-3-carbonitrile, 8;EN300-229559;Pyrazolo[1,5-a]pyrimidine-3-carbonitrile, AldrichCPR;Q27462821;Z337709424;LZM

Chemical Property of Pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Chemical Property:

• PKA: -1.82±0.40(Predicted)
• PSA: 53.98000
• Density: 1.37g/cm3
• LogP: 0.60098
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 144.043596145
• Heavy Atom Count: 11
• Complexity: 194

Purity/Quality:

98%,99%, ^*data from raw suppliers

Pyrazolo[1,5-a]pyrimidine-3-carbonitrile ^*data from reagent suppliers

Safty Information:

• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN2C(=C(C=N2)C#N)N=C1

Technology Process of Pyrazolo[1,5-a]pyrimidine-3-carbonitrile

There total 2 articles about Pyrazolo[1,5-a]pyrimidine-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: 65.0%

malonaldehydebis(dimethylacetal) (102-52-3) + 3-amino-4-cyano-2H-pyrazole (16617-46-2) → pyrazolo<1,5-a>pyrimidine-3-carbonitrile (25939-87-1)

Guidance literature:

With acetic acid; for 2h; Heating;

Reference yield:

→ pyrazolo<1,5-a>pyrimidine-3-carbonitrile (25939-87-1)

Guidance literature:

3(5)-Aminopyrazol-4-carbonitril, (MeO)2CHCH2CH(OMe)2;

upstream raw materials:

malonaldehydebis(dimethylacetal)

3-amino-4-cyano-2H-pyrazole

Refernces