4-phenyl-1H-Pyrazole-3-carbonitrile

Base Information

• Chemical Name: 4-phenyl-1H-Pyrazole-3-carbonitrile
• CAS No.: 21673-04-1
• Molecular Formula: C10H7 N3
• Molecular Weight: 169.18
• Mol file: 21673-04-1.mol

Synonyms:Pyrazole-3-carbonitrile,4-phenyl- (8CI)

Chemical Property of 4-phenyl-1H-Pyrazole-3-carbonitrile

Chemical Property:

• PSA: 52.47000
• LogP: 1.94838
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

NLT 98% ^*data from raw suppliers

4-Phenyl-1H-pyrazole-3-carbonitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-phenyl-1H-Pyrazole-3-carbonitrile

There total 8 articles about 4-phenyl-1H-Pyrazole-3-carbonitrile 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: 97.0%

3-cyano-4-phenyl-5-trimethylsilylpyrazole (89864-91-5) → 4-phenyl-1H-pyrazole-3-carbonitrile (21673-04-1)

Guidance literature:

With potassium hydroxide; In ethanol; for 1h; Heating;

DOI:10.1016/S0040-4039(00)99904-0

Reference yield: 60.0%

4-phenyl-3-tosyl-1H-pyrazole-5-carbonitrile (1563174-84-4) → 4-phenyl-1H-pyrazole-5-carbonitrile (21673-04-1,856344-08-6)

Guidance literature:

With disodium hydrogenphosphate; sodium; mercury; In methanol; at 20 ℃; for 24h; chemoselective reaction; Inert atmosphere;

DOI:10.1016/j.tet.2014.01.022

Reference yield: 44.0%

diazomethane (186581-53-3,908094-01-9,334-88-3) + Benzylidenemalononitrile (2700-22-3) → 4-phenyl-1H-pyrazole-5-carbonitrile (21673-04-1,856344-08-6)

Guidance literature:

In diethyl ether; at -5 - 25 ℃;

DOI:10.1134/S107042800903021X

upstream raw materials:

diazomethane

cinnamonitrile

3-cyano-4-phenyl-5-trimethylsilylpyrazole

4-phenyl-3-(trifluoromethyl)-1H-pyrazole

Downstream raw materials:

1-(2-oxo-2-phenylethyl)-4-phenyl-1H-pyrazole-5-carbonitrile

1-(4-methylphenylsulfonyl)-4-phenyl-1H-pyrazole-5-carbonitrile

1-(oxiran-2-ylmethyl)-4-phenyl-1H-pyrazole-5-carbonitrile

Refernces

• 1、 Kumar, Rahul,Nair, Deepa,Namboothiri, Irishi N.N.. "Reactions of vinyl sulfone with α-diazo-β-ketosulfone and Bestmann-Ohira reagent for the regioselective synthesis of highly functionalized pyrazoles". . p. 1794 - 1799. Retrieved 2014/03/21.
• 2、 Nosachev,Shchurova,Tyrkova,Tyrkov. "Synthesis of new pyrazole derivatives from benzylidenemalononitrile". experimental part. p. 463 - 465. Retrieved 2009/09/06.