1H-Pyrazole-4-carbonitrile, 5-amino-1-(tetrahydro-2H-pyran-4-yl)-

Base Information

• Chemical Name: 1H-Pyrazole-4-carbonitrile, 5-amino-1-(tetrahydro-2H-pyran-4-yl)-
• CAS No.: 1082745-49-0
• Molecular Formula: C₉H₁₂N₄O
• Molecular Weight: 192.22
• Hs Code.: 2934999090
• Mol file: 1082745-49-0.mol

Synonyms:1H-Pyrazole-4-carbonitrile, 5-amino-1-(tetrahydro-2H-pyran-4-yl)-;5-aMino-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole-4-carbonitrile;5-AMino-1-(tetrahydro-pyran-4-yl)-1H-pyrazole-4-carbonitrile

Chemical Property of 1H-Pyrazole-4-carbonitrile, 5-amino-1-(tetrahydro-2H-pyran-4-yl)-

Chemical Property:

• Boiling Point: 432.8±45.0 °C(Predicted)
• PKA: 0.14±0.19(Predicted)
• PSA: 76.86000
• Density: 1.41±0.1 g/cm3(Predicted)
• LogP: 1.26968
• Storage Temp.: 2-8°C

Purity/Quality:

99.9% ^*data from raw suppliers

5-Amino-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole-4-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1H-Pyrazole-4-carbonitrile, 5-amino-1-(tetrahydro-2H-pyran-4-yl)-

There total 7 articles about 1H-Pyrazole-4-carbonitrile, 5-amino-1-(tetrahydro-2H-pyran-4-yl)- 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: 82.0%

1-(tetrahydro-2H-pyran-4-yl)hydrazine dihydrogen chloride + Ethoxymethylenemalononitrile (123-06-8) → 5-amino-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole-4-carbonitrile (1082745-49-0)

Guidance literature:

1-(tetrahydro-2H-pyran-4-yl)hydrazine dihydrogen chloride; With triethylamine; In ethanol; at 0 ℃; for 0.5h;

Ethoxymethylenemalononitrile; In ethanol; for 2h; Reflux;

DOI:10.1021/acschemneuro.8b00376

Reference yield: 44.6%

1-(tetrahydro-2H-pyran-4-yl)hydrazine hydrochloride + Ethoxymethylenemalononitrile (123-06-8) → 5-amino-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole-4-carbonitrile (1082745-49-0)

Guidance literature:

With triethylamine; In ethanol; for 3h; Reflux;

Reference yield: 37.0%

Ethoxymethylenemalononitrile (123-06-8) + tetrahydro-2H-pyran-4-yl-hydrazine (116312-69-7) → 5-amino-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole-4-carbonitrile (1082745-49-0)

Guidance literature:

With triethylamine; In ethanol; at 50 ℃; for 0.5h;

upstream raw materials:

2-(methoxymethylene)malononitrile

Ethoxymethylenemalononitrile

tetrahydro-2H-pyran-4-yl-hydrazine

Tetrahydro-4H-pyran-4-one

Downstream raw materials:

6-((3S,4S)-1-benzyl-4-ethylpyrrolidin-3-yl)-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

6-((3S,4S)-1-(3-fluorobenzyl)-4-methylpyrrolidin-3-yl)-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

6-((3S,4S)-1-(4-fluorobenzyl)-4-methylpyrrolidin-3-yl)-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

6-((3S,4S)-1-(4-methoxybenzyl)-4-methylpyrrolidin-3-yl)-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

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