4,6-Dichloro-3-methyl-1H-pyrazolo[3,4-d]pyrimidine

Base Information

• Chemical Name: 4,6-Dichloro-3-methyl-1H-pyrazolo[3,4-d]pyrimidine
• CAS No.: 1211522-68-7
• Molecular Formula: C₆H₄Cl₂N₄
• Molecular Weight: 203.031
• Hs Code.: 2933990090
• Mol file: 1211522-68-7.mol

Synonyms:4,6-Dichloro-3-methyl-1H-pyrazolo[3,4-d]pyrimidine;1H-Pyrazolo[3,4-d]pyriMidine, 4,6-dichloro-3-Methyl-;6-dichloro-3-Methyl-1H-pyrazolo[3

Chemical Property of 4,6-Dichloro-3-methyl-1H-pyrazolo[3,4-d]pyrimidine

Chemical Property:

• PSA: 54.46000
• LogP: 1.96810
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

4,6-Dichloro-3-methyl-1H-pyrazolo[3,4-d]pyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4,6-Dichloro-3-methyl-1H-pyrazolo[3,4-d]pyrimidine

There total 3 articles about 4,6-Dichloro-3-methyl-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: 25.0%

3-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diol (2942-50-9) → 4,6-dichloro-3-methyl-1H-pyrazolo[3,4-d]pyrimidine (1211522-68-7)

Guidance literature:

With N,N-dimethyl-aniline; trichlorophosphate; at 110 ℃; for 13h;

DOI:10.1002/bkcs.12490

Reference yield:

(1-ethoxyethylidene)malononitrile (5417-82-3) → 4,6-dichloro-3-methyl-1H-pyrazolo[3,4-d]pyrimidine (1211522-68-7)

Guidance literature:

Multi-step reaction with 3 steps

1.1: hydrazine hydrate / ethanol / 90 h / 0 - 80 °C

2.1: potassium hydroxide / dimethyl sulfoxide / 12 h / 0 °C

2.2: 1.5 h / 0 - 20 °C

3.1: trichlorophosphate; phosphorus pentachloride / 12 h / Reflux

With phosphorus pentachloride; hydrazine hydrate; potassium hydroxide; trichlorophosphate; In ethanol; dimethyl sulfoxide;

Reference yield:

5-amino-3-methyl-1H-pyrazole-4-carbonitrile (5453-07-6,1204294-67-6) → 4,6-dichloro-3-methyl-1H-pyrazolo[3,4-d]pyrimidine (1211522-68-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium hydroxide / dimethyl sulfoxide / 12 h / 0 °C

1.2: 1.5 h / 0 - 20 °C

2.1: trichlorophosphate; phosphorus pentachloride / 12 h / Reflux

With phosphorus pentachloride; potassium hydroxide; trichlorophosphate; In dimethyl sulfoxide;

upstream raw materials:

(1-ethoxyethylidene)malononitrile

5-amino-3-methyl-1H-pyrazole-4-carbonitrile

3-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diol

Downstream raw materials:

2-((6-((5-amino-2-methoxyphenyl)amino)-3-methyl-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)-N-methylbenzamide

2-((6-((2-methoxy-5-nitrophenyl)amino)-3-methyl-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)-N-methylbenzamide

2-((6-chloro-3-methyl-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)-N-methylbenzamide

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