1H-pyrazolo[3,4-b]pyrazine

Base Information

• Chemical Name: 1H-pyrazolo[3,4-b]pyrazine
• CAS No.: 272-60-6
• Molecular Formula: C5H4N4
• Molecular Weight: 120.114
• Hs Code.: 2933990090
• European Community (EC) Number: 851-702-6
• DSSTox Substance ID: DTXSID70512807
• Wikidata: Q82372212
• Mol file: 272-60-6.mol

Synonyms:4,7-DIAZA-1H-INDAZOLE;1H-pyrazolo[3,4-b]pyrazine;272-60-6;2H-Pyrazolo[3,4-b]pyrazine;7H-Pyrazolo[3,4-b]pyrazine;MFCD09999207;pyrazolopyrazine;24977-38-6;399-62-2;SCHEMBL219870;1H-pyrazolo[3, 4-b]pyrazine;SCHEMBL19269974;DTXSID70512807;AKOS006305456;AB55841;DS-0372;SY097787;AM20070426;CS-0052523;FT-0686108;A876988;J-504728

Chemical Property of 1H-pyrazolo[3,4-b]pyrazine

Chemical Property:

• Melting Point: 198-200 °C
• Boiling Point: 218.7±23.0 °C(Predicted)
• PKA: 6.03±0.20(Predicted)
• PSA: 54.46000
• Density: 1.61±0.1 g/cm3(Predicted)
• LogP: 0.35290
• Storage Temp.: 2-8°C
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 120.043596145
• Heavy Atom Count: 9
• Complexity: 105

Purity/Quality:

97% ^*data from raw suppliers

4,7-Diaza-1H-indazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=C2C(=N1)C=NN2

Technology Process of 1H-pyrazolo[3,4-b]pyrazine

There total 12 articles about 1H-pyrazolo[3,4-b]pyrazine 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: 53.0%

3-diazopyrazolo<3,4-b>pyrazine (81411-67-8) → 1H-pyrazolo(3,4-b)pyrazine (272-60-6)

Guidance literature:

With methanol; for 9h; Irradiation;

DOI:10.1007/BF00809014

Reference yield:

3-aminopyrazolo<3,4-b>pyrazine (81411-64-5) → 1H-pyrazolo(3,4-b)pyrazine (272-60-6)

Guidance literature:

Multi-step reaction with 2 steps

2: 53 percent / methanol / Irradiation

In methanol;

Reference yield:

2-chloro-3-cyanopyrazine (55557-52-3) → 1H-pyrazolo(3,4-b)pyrazine (272-60-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 53 percent / hydrazine hydrate / ethanol

3: 53 percent / methanol / Irradiation

With hydrazine hydrate; In methanol; ethanol;

upstream raw materials:

3-diazopyrazolo<3,4-b>pyrazine

2-aminopyrazine-3-carboxamide oxime

2-amino-3-(5'-methyl-1',2',4'-oxadiazolyl-3')pyrazine

2-aminopyrazine-3-carboxamide O-acetyloxime