2-[4,6-bis(benzylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]acetonitrile

Base Information

• Chemical Name: 2-[4,6-bis(benzylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]acetonitrile
• CAS No.: 1443434-65-8
• Molecular Formula: C₂₁H₁₇N₅S₂
• Molecular Weight: 403.531
• Mol file: 1443434-65-8.mol

Synonyms:2-[4,6-bis(benzylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]acetonitrile

Chemical Property of 2-[4,6-bis(benzylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]acetonitrile

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 2-[4,6-bis(benzylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]acetonitrile

There total 2 articles about 2-[4,6-bis(benzylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]acetonitrile 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: 79.0%

2-(4,6-dithioxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile (78710-13-1) + benzyl chloride (100-44-7) → 2-[4,6-bis(benzylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]acetonitrile (1443434-65-8)

Guidance literature:

With sodium hydroxide; In ethanol; at 20 ℃; for 2h;

DOI:10.3184/174751912X13543818811749

Reference yield:

5-amino-3-(cyanomethyl)-1H-pyrazole-4-carbonitrile (54711-21-6) → 2-[4,6-bis(benzylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]acetonitrile (1443434-65-8)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine

2: sodium hydroxide / ethanol / 2 h / 20 °C

With pyridine; sodium hydroxide; In ethanol;

DOI:10.3184/174751912X13543818811749

Reference yield: 90.0%

morpholine (110-91-8,99108-56-2) + 2-[4,6-bis(benzylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]acetonitrile (1443434-65-8) → 2-[6-(benzylsulfanyl)-4-(morpholino-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]acetonitrile (1443434-66-9,958786-21-5)

Guidance literature:

In ethanol; for 3h; Reflux;

DOI:10.3184/174751912X13543818811749

upstream raw materials:

5-amino-3-(cyanomethyl)-1H-pyrazole-4-carbonitrile

2-(4,6-dithioxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile

benzyl chloride

Downstream raw materials:

2-[6-(benzylsulfanyl)-4-(piperidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]acetonitrile

2-[6-(benzylsulfanyl)-4-(benzothiazol-2-yl-amino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]acetonitrile

2-[6-(benzylsulfanyl)-4-(4-chlorophenylamino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]acetonitrile

2-[6-(benzylsulfanyl)-4-(5-mercapto-1,3,4-thiadiazol-2-ylamino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]acetonitrile