1-Methyl-4-phenyl-1H-pyrazolo[3,4-d]pyrimidine

Base Information

• Chemical Name: 1-Methyl-4-phenyl-1H-pyrazolo[3,4-d]pyrimidine
• CAS No.: 53645-68-4
• Molecular Formula: C12H10N4
• Molecular Weight: 210.238
• DSSTox Substance ID: DTXSID30490738
• Wikidata: Q82334706
• Mol file: 53645-68-4.mol

Synonyms:1-Methyl-4-phenyl-1H-pyrazolo[3,4-d]pyrimidine;53645-68-4;DTXSID30490738

Chemical Property of 1-Methyl-4-phenyl-1H-pyrazolo[3,4-d]pyrimidine

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 210.090546336
• Heavy Atom Count: 16
• Complexity: 239

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=NC=NC(=C2C=N1)C3=CC=CC=C3

Technology Process of 1-Methyl-4-phenyl-1H-pyrazolo[3,4-d]pyrimidine

There total 6 articles about 1-Methyl-4-phenyl-1H-pyrazolo[3,4-d]pyrimidine 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: 80.0%

4-chloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidine (23000-43-3) + phenylboronic acid (98-80-6) → 1-methyl-4-phenylpyrazolo<3,4-d>pyrimidine (53645-68-4)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate; In tetrahydrofuran; at 170 ℃; for 0.166667h; Microwave irradiation;

DOI:10.1016/j.crci.2017.06.004

Reference yield: 58.0%

4-amino-1-methyl-1H-pyrazolo<3,4-d>pyrimidine (5334-99-6) → 1-methyl-4-phenylpyrazolo<3,4-d>pyrimidine (53645-68-4) + 1-methyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one (5334-56-5) + 1-methyl-4-(pentyloxy)-1H-pyrazolo<3,4-d>pyrimidine (87412-90-6)

Guidance literature:

With n-Amyl nitrite; toluene-4-sulfonic acid; In benzene; Heating;

DOI:10.1021/jo00172a033

Reference yield: 58.0%

4-amino-1-methyl-1H-pyrazolo<3,4-d>pyrimidine (5334-99-6) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 1-methyl-4-phenylpyrazolo<3,4-d>pyrimidine (53645-68-4) + 1-methyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one (5334-56-5) + 1-methyl-4-(pentyloxy)-1H-pyrazolo<3,4-d>pyrimidine (87412-90-6)

Guidance literature:

With n-Amyl nitrite; toluene-4-sulfonic acid; Heating;

DOI:10.1021/jo00172a033

upstream raw materials:

4-amino-1-methyl-1H-pyrazolo<3,4-d>pyrimidine

benzene

4-hydroxypyrazolo(3,4-d)pyrimidine

4-chloro-1H-pyrazolo[3,4-d]pyrimidine

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