1-methyl-4-piperazin-1-yl-1H-pyrazolo[3,4-d]pyrimidine

Base Information

• Chemical Name: 1-methyl-4-piperazin-1-yl-1H-pyrazolo[3,4-d]pyrimidine
• CAS No.: 245449-97-2
• Molecular Formula: C₁₀H₁₄N₆
• Molecular Weight: 218.261
• European Community (EC) Number: 853-095-3
• DSSTox Substance ID: DTXSID901204509
• Mol file: 245449-97-2.mol

Synonyms:245449-97-2;1-methyl-4-piperazin-1-yl-1H-pyrazolo[3,4-d]pyrimidine;1-methyl-4-(piperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine;1-methyl-4-piperazin-1-ylpyrazolo[3,4-d]pyrimidine;1-{1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazine;1-Methyl-4-(1-piperazinyl)-1H-pyrazolo[3,4-d]pyrimidine;SCHEMBL7655764;USAIOAAYWNVXEH-UHFFFAOYSA-N;1H-Pyrazolo[3,4-d]pyrimidine, 1-methyl-4-(1-piperazinyl)-;DTXSID901204509;MFCD08691367;AKOS009106885;CCG-326354;FT-0745554;EN300-26532;1-methyl-4-piperazin-1-ylpyrazolo[3, 4-d]pyrimidine;Z223639244;1-Methyl-4-piperazin-1-yl-1H-pyrazolo[3,4-d]pyrimidine, AldrichCPR

Chemical Property of 1-methyl-4-piperazin-1-yl-1H-pyrazolo[3,4-d]pyrimidine

Chemical Property:

• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 218.12799447
• Heavy Atom Count: 16
• Complexity: 242

Purity/Quality:

1-{1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

Useful:

• Canonical SMILES: CN1C2=C(C=N1)C(=NC=N2)N3CCNCC3

Technology Process of 1-methyl-4-piperazin-1-yl-1H-pyrazolo[3,4-d]pyrimidine

There total 4 articles about 1-methyl-4-piperazin-1-yl-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: 81.0%

p-phenoxyphenylisocyanate (59377-19-4) + 4-(2-Amino-6-purinyl)-N-(4-phenoxyphenyl)-1-piperazinecarboxamide (245449-27-8) → 1-methyl-4-(1-piperazinyl)-1H-pyrazolo[3,4-b]pyrimidine (245449-97-2) + 4-(1-Methyl-4-1H-pyrazolo[3,4-d]pyrimidinyl)-N-(4-phenoxyphenyl)-1-piperazinecarboxamide

Guidance literature:

In N-methyl-acetamide;

Reference yield:

4-hydroxy-1-methyl-1H-pyrazolo[3,4-d]pyrimidine (5334-56-5) → 1-methyl-4-(1-piperazinyl)-1H-pyrazolo[3,4-b]pyrimidine (245449-97-2)

Guidance literature:

Multi-step reaction with 2 steps

1: POCl₃

2: propan-2-ol / 4 h / Heating

With trichlorophosphate; In isopropyl alcohol;

DOI:10.1021/jm020505v

Reference yield:

piperazine (110-85-0) + 4-hydroxy-1-methyl-1H-pyrazolo[3,4-d]pyrimidine (5334-56-5) → 1-methyl-4-(1-piperazinyl)-1H-pyrazolo[3,4-b]pyrimidine (245449-97-2)

Guidance literature:

upstream raw materials:

piperazine

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

4-hydroxy-1-methyl-1H-pyrazolo[3,4-d]pyrimidine

p-phenoxyphenylisocyanate

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