1h-Pyrazolo[3,4-b]pyrazin-3-amine

Base Information

• Chemical Name: 1h-Pyrazolo[3,4-b]pyrazin-3-amine
• CAS No.: 81411-64-5
• Molecular Formula: C5H5N5
• Molecular Weight: 135.1267
• Hs Code.: 2933990090
• European Community (EC) Number: 868-261-0
• NSC Number: 163011
• DSSTox Substance ID: DTXSID70303858
• Wikidata: Q82049343
• Mol file: 81411-64-5.mol

Synonyms:1h-pyrazolo[3,4-b]pyrazin-3-amine;81411-64-5;2H-pyrazolo[3,4-b]pyrazin-3-amine;3-Amino-1H-pyrazolo[3,4-b]pyrazine;MFCD09909663;NSC163011;SCHEMBL14763597;3-aminopyrazolo[3,4-b]pyrazine;DTXSID70303858;FPPZCGSFUJKIER-UHFFFAOYSA-N;AKOS006312443;CS-W003687;MB08181;NSC-163011;SY027166;TS-00026;FT-0645609;EN300-91563;A840124;Z1198261560

Chemical Property of 1h-Pyrazolo[3,4-b]pyrazin-3-amine

Chemical Property:

• Melting Point: 244-246 °C(Solv: ethanol (64-17-5))
• Refractive Index: 1.837
• Boiling Point: 281.1±23.0 °C(Predicted)
• PKA: 6.62±0.20(Predicted)
• PSA: 80.48000
• Density: 1.612 g/cm³
• LogP: 0.51630
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 135.05449518
• Heavy Atom Count: 10
• Complexity: 127

Purity/Quality:

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

1H-Pyrazolo[3,4-b]pyrazin-3-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC2=C(NN=C2N=C1)N

Technology Process of 1h-Pyrazolo[3,4-b]pyrazin-3-amine

There total 9 articles about 1h-Pyrazolo[3,4-b]pyrazin-3-amine 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: 60.0%

3-formylamino-1H-pyrazolo(3,4-b)pyrazine (81411-61-2) → 3-aminopyrazolo<3,4-b>pyrazine (81411-64-5)

Guidance literature:

With hydrogenchloride; for 2h; Ambient temperature;

DOI:10.1007/BF00809014

Reference yield: 53.0%

2-chloro-3-cyanopyrazine (55557-52-3) → 3-aminopyrazolo<3,4-b>pyrazine (81411-64-5)

Guidance literature:

With hydrazine hydrate; In ethanol; for 1.5h; Heating;

DOI:10.1007/BF00809014

Reference yield: 36.0%

3-acetylamino-1H-pyrazolo(3,4-b)pyrazine (81411-62-3) → 3-aminopyrazolo<3,4-b>pyrazine (81411-64-5)

Guidance literature:

With sodium hydroxide; for 1h; Heating;

DOI:10.1007/BF00809014

upstream raw materials:

3-(2-aminopyrazinyl-3')-1,2,4-oxadiazol-5(4H)-one

3-formylamino-1H-pyrazolo(3,4-b)pyrazine

3-acetylamino-1H-pyrazolo(3,4-b)pyrazine

2-chloro-3-cyanopyrazine

Downstream raw materials:

5,5-Dimethyl-2-[(1H-pyrazolo[3,4-b]pyrazin-3-yl)-hydrazono]-cyclohexane-1,3-dione

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

1H-pyrazolo(3,4-b)pyrazine

3-benzoylamino-1H-pyrazolo(3,4-b)pyrazine

Refernces

• 1、 Kocevar, Marjan,Vercek, Bojan,Stanovnik, Branko,Tisler, Miha. "Neighbouring Group Participation in Formation of Condensed Azines. Formation of Pyrazolo(3,4-b)pyrazines, Isoxazolo(4,5-b)pyrazines and Isothiazolo(5,4-b)pyridine (Heterocycles, CCX)". . p. 731 - 744. Retrieved 2007/10/02.