5-Amino-1-(2-fluorophenyl)-1H-pyrazole-4-carbonitrile

Base Information

• Chemical Name: 5-Amino-1-(2-fluorophenyl)-1H-pyrazole-4-carbonitrile
• CAS No.: 135108-48-4
• Molecular Formula: C10H7FN4
• Molecular Weight: 202.191
• Hs Code.: 2933199090
• Mol file: 135108-48-4.mol

Synonyms:Cyanopyrazole 47A;5-amino-1-(2-fluorophenyl)-1H-pyrazole-4-carbonitrile;

Chemical Property of 5-Amino-1-(2-fluorophenyl)-1H-pyrazole-4-carbonitrile

Chemical Property:

• Melting Point: 145.9-146.8 °C(Solv: ethanol (64-17-5))
• Boiling Point: 402.429 °C at 760 mmHg
• PKA: -1.53±0.10(Predicted)
• Flash Point: 197.182 °C
• PSA: 67.63000
• Density: 1.361 g/cm³
• LogP: 2.04648
• Storage Temp.: 2-8°C

Purity/Quality:

NLT 98% ^*data from raw suppliers

5-amino-1-(2-fluorophenyl)-1H-pyrazole-4-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-Amino-1-(2-fluorophenyl)-1H-pyrazole-4-carbonitrile

There total 5 articles about 5-Amino-1-(2-fluorophenyl)-1H-pyrazole-4-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: 100.0%

(2-fluorophenyl)hydrazine hydrochloride (2924-15-4) + Ethoxymethylenemalononitrile (123-06-8) → 5-amino-1-(2-fluorophenyl)-1H-pyrazole-4-carbonitrile (135108-48-4)

Guidance literature:

With triethylamine; In ethanol; at 20 ℃; for 1.5h; Reflux; Inert atmosphere;

DOI:10.1021/jm100095x

Reference yield: 91.0%

2-fluorophenylhydrazine (2368-80-1) + Ethoxymethylenemalononitrile (123-06-8) → 5-amino-1-(2-fluorophenyl)-1H-pyrazole-4-carbonitrile (135108-48-4)

Guidance literature:

In ethanol; Reflux;

DOI:10.1002/ejoc.201701538

Reference yield: 84.0%

→ 5-amino-1-(2-fluorophenyl)-1H-pyrazole-4-carbonitrile (135108-48-4)

Guidance literature:

upstream raw materials:

orthoformic acid triethyl ester

2-fluorophenylhydrazine

malononitrile

Ethoxymethylenemalononitrile

Downstream raw materials:

7-(2-fluorophenyl)-3H-pyrazolo[3,4-d][1,2,3]triazin-4(7H)-one

4-chloro-1-(2-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidine

1-(2-fluorophenyl)-1H-pyrazole-4-carbonitrile

5-[1-(2-fluorophenyl)-1H-pyrazole-4-yl]-1H-tetrazole

Refernces

• 1、 Colomer, Juan P.,Sciú, María L.,Ramirez, Cristina L.,Soria-Castro, Silvia M.,Vera, D. Mariano A.,Moyano, Elizabeth L.. "Thermal Ring-Opening of Pyrazolo[3,4-d][1,2,3]triazin-4-ones: An Experimental and Theoretical Study". . p. 1514 - 1524. Retrieved 2018/03/30.
• 2、 Dos Santos Faióes, Viviane,Leon, Leonor L.,Canto-Cavalheiro, Marilene M.,Torres-Santos, Eduardo C.,Bernardino, Alice M.R.,Vegi, Percilene F.,Dos Santos, Maurício S.. "Effectiveness of novel 5-(5-amino-1-aryl-1H-pyrazol-4-yl)-1H-tetrazole derivatives against promastigotes and amastigotes of leishmania amazonensis". . p. 272 - 277. Retrieved 2014/03/21.