1H-Pyrazole-4-carboxylicacid,3-cyano-,methylester(9CI)

Base Information

• Chemical Name: 1H-Pyrazole-4-carboxylicacid,3-cyano-,methylester(9CI)
• CAS No.: 33090-69-6
• Molecular Formula: C₆H₅N₃O₂
• Molecular Weight: 151.125
• Hs Code.: 2933199090
• Mol file: 33090-69-6.mol

Synonyms:Pyrazole-4-carboxylicacid, 3-cyano-, methyl ester (8CI)

Chemical Property of 1H-Pyrazole-4-carboxylicacid,3-cyano-,methylester(9CI)

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.541
• Boiling Point: 408.425°C at 760 mmHg
• Flash Point: 200.809°C
• PSA: 78.77000
• Density: 1.391g/cm³
• LogP: 0.06798

Purity/Quality:

97% ^*data from raw suppliers

Methyl3-cyano-1H-pyrazole-4-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1H-Pyrazole-4-carboxylicacid,3-cyano-,methylester(9CI)

There total 2 articles about 1H-Pyrazole-4-carboxylicacid,3-cyano-,methylester(9CI) 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: 37.0%

diazomethane (24153-51-3,175791-16-9,353495-36-0,6843-83-0) + dimethyl 2,3-dicyanofumarate (35234-87-8) → 4-Cyano-1H-pyrazole-3-carboxylic acid methyl ester (105020-45-9) + 4-Cyan-1-methyl-3-pyrazolcarbonsaeure-methylester (105020-37-9) + methyl 3-cyano-1H-pyrazole-4-carboxylate (33090-69-6) + 4-Cyan-1-methyl-5-pyrazolcarbonsaeure-methylester (70910-18-8)

Guidance literature:

In tetrahydrofuran; at 0 ℃; for 3h;

DOI:10.3987/R-1986-09-2429

Reference yield:

→ methyl 3-cyano-1H-pyrazole-4-carboxylate (33090-69-6)

Guidance literature:

entspr. Amid, POCl3; s.S.1337;

Reference yield:

methyl 3-cyano-1H-pyrazole-4-carboxylate (33090-69-6) → C27H29N5O3 (1594129-17-5)

Guidance literature:

Multi-step reaction with 3 steps

1: trifluoroacetic acid / tetrahydrofuran / 60 °C

2: sodium hydroxide; water / methanol / 4 h / 20 °C

3: N-ethyl-N,N-diisopropylamine; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate / N,N-dimethyl-formamide / 20 °C

With water; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; sodium hydroxide; In tetrahydrofuran; methanol; N,N-dimethyl-formamide;

upstream raw materials:

diazomethane

dimethyl 2,3-dicyanofumarate

Downstream raw materials:

C₂₇H₂₉N₅O₃