1-methyl-1H-pyrazole-4-carbonitrile

Base Information

• Chemical Name: 1-methyl-1H-pyrazole-4-carbonitrile
• CAS No.: 66121-71-9
• Molecular Formula: C5H5N3
• Molecular Weight: 107.115
• Hs Code.: 2933199090
• European Community (EC) Number: 892-946-3
• DSSTox Substance ID: DTXSID10508789
• Wikidata: Q72496299
• Mol file: 66121-71-9.mol

Synonyms:1-methyl-1H-pyrazole-4-carbonitrile;66121-71-9;4-Cyano-1-methylpyrazole;1-methylpyrazole-4-carbonitrile;MFCD04969704;1H-Pyrazole-4-carbonitrile, 1-methyl-;1-methyl-4-cyanopyrazole;SCHEMBL945086;DTXSID10508789;NIBQNKBEGIMBSV-UHFFFAOYSA-N;AMY10140;AKOS000309836;CS-W019316;PB27672;AC-28862;SY015914;TS-01529;1-METHYL-1H-PYRAZOL-4-YL CYANIDE;BB 0219798;FT-0757259;EN300-43595;M-4421;P10303;F8887-5763;Z381355294

Chemical Property of 1-methyl-1H-pyrazole-4-carbonitrile

Chemical Property:

• Vapor Pressure: 0.067mmHg at 25°C
• Melting Point: 60 °C(Solv: cyclohexane (110-82-7))
• Refractive Index: 1.579
• Boiling Point: 230.218 °C at 760 mmHg
• PKA: -1.41±0.10(Predicted)
• Flash Point: 93.033 °C
• PSA: 41.61000
• Density: 1.121 g/cm³
• LogP: 0.29178
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 107.048347172
• Heavy Atom Count: 8
• Complexity: 123

Purity/Quality:

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

1-Methyl-1H-pyrazole-4-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=C(C=N1)C#N

Technology Process of 1-methyl-1H-pyrazole-4-carbonitrile

There total 13 articles about 1-methyl-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: 95.0%

1-methylpyrazole-4-carbaldehyde (25016-11-9) → 1-methyl-1H-pyrazole-4-carbonitrile (66121-71-9)

Guidance literature:

With ammonium hydroxide; sodium bromate; acetic acid; In water; at 90 - 100 ℃; for 1h;

Reference yield: 85.0%

1-methyl-1H-pyrazole-4-carbaldehyde oxime (43193-15-3,42849-64-9) → 1-methyl-1H-pyrazole-4-carbonitrile (66121-71-9)

Guidance literature:

With acetic anhydride; for 1h; Reflux;

DOI:10.1134/S1070363212100131

Reference yield: 74.0%

4-Cyano-2-methyl-2H-pyrazole-3-carboxylic acid → 1-methyl-1H-pyrazole-4-carbonitrile (66121-71-9)

Guidance literature:

at 230 ℃; under 11 Torr;

DOI:10.3987/R-1986-09-2429

upstream raw materials:

5-amino-4-cyano-1-methylpyrazole

α-cyano-β-dimethylaminoacrolein

methylhydrazine

4-Cyan-1-methyl-5-pyrazolcarbonsaeure-methylester

Downstream raw materials:

2-(3-chlorophenyl)-5-methyl-2-(1-methyl-1H-pyrazol-4-yl)-2H-imidazol-4-amine

2-(3-chlorophenyl)-4-methyl-2-(1-methyl-1H-pyrazol-4-yl)-1H-imidazole-5(2H)-thione

2-(3'-methoxybiphenyl-3-yl)-5-methyl-2-(1-methyl-1H-pyrazol-4-yl)-2H-imidazol-4-amine

(3-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methanimine

Refernces

• 1、 -. "PROCESS OF PREPARATION OF AZIMSULFURON". Paragraph 0237. . Retrieved 2015/04/28.
• 2、 -. "PROCESS OF PREPARATION OF AZIMSULFURON". Page/Page column 43; 44. . Retrieved 2014/01/17.