1H-Pyrazolo[3,4-d]pyridazin-4-amine, 1-methyl-

Base Information

• Chemical Name: 1H-Pyrazolo[3,4-d]pyridazin-4-amine, 1-methyl-
• CAS No.: 96017-56-0
• Molecular Formula: C₆H₇N₅
• Molecular Weight: 149.155
• European Community (EC) Number: 832-725-0
• DSSTox Substance ID: DTXSID70423303
• Wikidata: Q82235491
• Mol file: 96017-56-0.mol

Synonyms:96017-56-0;1H-Pyrazolo[3,4-d]pyridazin-4-amine, 1-methyl-;1-methyl-1H-pyrazolo[3,4-d]pyridazin-4-amine;1-methylpyrazolo[3,4-d]pyridazin-4-amine;SCHEMBL13787652;DTXSID70423303;AKOS006295469;EN300-4278577;Z1198165884

Chemical Property of 1H-Pyrazolo[3,4-d]pyridazin-4-amine, 1-methyl-

Chemical Property:

• PSA: 69.62000
• LogP: 0.52670
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 149.07014524
• Heavy Atom Count: 11
• Complexity: 150

Purity/Quality:

1-METHYL-1H-PYRAZOLO[3,4-D]PYRIDAZIN-4-AMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1C2=CN=NC(=C2C=N1)N

Technology Process of 1H-Pyrazolo[3,4-d]pyridazin-4-amine, 1-methyl-

There total 4 articles about 1H-Pyrazolo[3,4-d]pyridazin-4-amine, 1-methyl- 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: 57.0%

1-Methyl-1H-pyrazolo<3,4-d>pyridazine-4(5H)-thione (40995-55-9) → 4-Amino-1-methyl-1H-pyrazolo<3,4-d>pyridazine (96017-56-0)

Guidance literature:

With ammonium hydroxide; at 120 ℃; for 5h;

DOI:10.1002/jhet.5570210501

Reference yield:

4-Chloro-5-(1-methylhydrazino)-3(2H)-pyridazinone (96017-24-2) → 4-Amino-1-methyl-1H-pyrazolo<3,4-d>pyridazine (96017-56-0)

Guidance literature:

Multi-step reaction with 4 steps

1: 90 percent / ethanol / 2 h / Heating

2: 77 percent / acetone / 8 h / Ambient temperature; Irradiation

3: 76 percent / P₄S₁₀ / pyridine / 10 h / 140 °C

4: 57 percent / aq. NH₃ / 5 h / 120 °C

With ammonium hydroxide; tetraphosphorus decasulfide; In pyridine; ethanol; acetone;

DOI:10.1002/jhet.5570210501

Reference yield:

4-Chloro-5-(N-methyl-N'-methylene-hydrazino)-2H-pyridazin-3-one (96017-34-4) → 4-Amino-1-methyl-1H-pyrazolo<3,4-d>pyridazine (96017-56-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 77 percent / acetone / 8 h / Ambient temperature; Irradiation

2: 76 percent / P₄S₁₀ / pyridine / 10 h / 140 °C

3: 57 percent / aq. NH₃ / 5 h / 120 °C

With ammonium hydroxide; tetraphosphorus decasulfide; In pyridine; acetone;

DOI:10.1002/jhet.5570210501

upstream raw materials:

1-Methyl-1H-pyrazolo<3,4-d>pyridazine-4(5H)-thione

4-Chloro-5-(1-methylhydrazino)-3(2H)-pyridazinone

4-Chloro-5-(N-methyl-N'-methylene-hydrazino)-2H-pyridazin-3-one

1-Methyl-1H-pyrazolo<3,4-d>pyridazin-4(5H)-one

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