4-PHENYLPYRAZOLE

Base Information

• Chemical Name: 4-PHENYLPYRAZOLE
• CAS No.: 10199-68-5
• Molecular Formula: C9H8N2
• Molecular Weight: 144.176
• Hs Code.: 2933199090
• Mol file: 10199-68-5.mol

Synonyms:Pyrazole,4-phenyl- (6CI,7CI,8CI);4-Phenyl-1H-pyrazole;4-Phenylpyrazole;

Chemical Property of 4-PHENYLPYRAZOLE

Chemical Property:

• Vapor Pressure: 0.000165mmHg at 25°C
• Melting Point: 230-231℃
• Refractive Index: 1.602
• Boiling Point: 340.9 °C at 760 mmHg
• PKA: 13.94±0.50(Predicted)
• Flash Point: 165 °C
• PSA: 28.68000
• Density: 1.141 g/cm³
• LogP: 2.07670
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Phenyl-1H-pyrazole 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-PHENYLPYRAZOLE

There total 48 articles about 4-PHENYLPYRAZOLE 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: 98.0%

pyrazole-4-boronic acid pinacol ester (269410-08-4) + bromobenzene (108-86-1,52753-63-6) → 4-phenyl-1H-pyrazole (10199-68-5)

Guidance literature:

With tetrabutylammomium bromide; potassium carbonate; palladium dichloride; In N,N-dimethyl-formamide; at 130 ℃; for 16h; Inert atmosphere;

Reference yield: 98.0%

1-[(4-methylphenyl)sulfonyl]-4-phenyl-1H-pyrazole (852471-30-8) → 4-phenyl-1H-pyrazole (10199-68-5)

Guidance literature:

With sodium hydroxide; In methanol; water;

DOI:10.1016/S0040-4039(02)00763-3

Reference yield: 88.0%

4-bromo-1H-pyrazole (2075-45-8) + phenylboronic acid (98-80-6) → 4-phenyl-1H-pyrazole (10199-68-5)

Guidance literature:

4-bromo-1H-pyrazole; phenylboronic acid; With potassium phosphate; In 1,2-dimethoxyethane; at 80 ℃; for 8h; Inert atmosphere;

In 1,2-dimethoxyethane; water; at 100 ℃; for 10h;

DOI:10.1039/c7gc01166k

upstream raw materials:

diazomethane

cinnamonitrile

cinnamic nitrile

diethyl ether

Downstream raw materials:

2-Methyl-2-[4-(4-phenyl-pyrazol-1-yl)-butyl]-malonic acid diethyl ester

withasomnine

4-[2-(4-phenyl-1-pyrazolyl)ethoxy]phenol

3⁽⁵⁾-formyl-4-phenyl-1H-pyrazole

Refernces

• 1、 Li, Shenghui,Xu, Shengjie,Tang, Yonghe,Ding, Shan,Zhang, Jinchao,Wang, Shuxiang,Zhou, Guoqiang,Zhou, Chuanqi,Li, Xiaoliu. "Synthesis, anticancer activity and DNA-binding properties of novel 4-pyrazolyl-1,8-naphthalimide derivatives". . p. 586 - 590. Retrieved 2014.
• 2、 Korolev, Dmitrii N.,Bumagin, Nikolay A.. "Pd-EDTA as an efficient catalyst for Suzuki-Miyaura reactions in water". . p. 5751 - 5754. Retrieved 2005.
• 3、 Brodney, Michael A.,Gair, Joseph J.,Giroux, Simon,Grey, Ronald L.. "Palladium-catalyzed hydrodefluorination of fluoroarenes". . p. 131 - 146. Retrieved 2021/06/18.