1H-Pyrazole, 1-ethenyl-

Base Information

• Chemical Name: 1H-Pyrazole, 1-ethenyl-
• CAS No.: 20173-98-2
• Molecular Formula: C5H6N2
• Molecular Weight: 94.116
• European Community (EC) Number: 844-305-4
• DSSTox Substance ID: DTXSID80423596
• Nikkaji Number: J801.257A
• Wikidata: Q82235839
• Mol file: 20173-98-2.mol

Synonyms:1H-Pyrazole, 1-ethenyl-;20173-98-2;1-ethenylpyrazole;1-vinyl-1h-pyrazole;1-ethenyl-1H-pyrazole;1H-Pyrazole, 1-vinyl-;1-vinylpyrazole;DTXSID80423596;NWHSSMRWECHZEP-UHFFFAOYSA-N;EN300-201777

Chemical Property of 1H-Pyrazole, 1-ethenyl-

Chemical Property:

• PSA: 17.82000
• LogP: 0.98360
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 94.053098200
• Heavy Atom Count: 7
• Complexity: 70.5

Purity/Quality:

99% ^*data from raw suppliers

1-VINYL-1H-PYRAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CN1C=CC=N1

Technology Process of 1H-Pyrazole, 1-ethenyl-

There total 13 articles about 1H-Pyrazole, 1-ethenyl- 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: 85.0%

NH-pyrazole (288-13-1) + 1-(β-chloroethyl)pyrazole (96450-53-2) → 1,2-bis(1H-pyrazol-1-yl)ethane (92146-02-6) + 1-vinylpyrazole (20173-98-2)

Guidance literature:

With sodium hydroxide; tetrabutylammomium bromide; In toluene; at 70 - 90 ℃; for 120h;

Reference yield: 80.0%

1-(β-chloroethyl)pyrazole (96450-53-2) → 1-vinylpyrazole (20173-98-2)

Guidance literature:

With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; hydroquinone; at 80 ℃; for 1.5h;

DOI:10.1007/s10593-005-0170-z

Reference yield: 80.0%

NH-pyrazole (288-13-1) + ethylene dibromide (106-93-4) → 1,2-bis(1H-pyrazol-1-yl)ethane (92146-02-6) + 1-vinylpyrazole (20173-98-2)

Guidance literature:

With sodium hydroxide; tetrabutylammomium bromide; In toluene; at 60 - 80 ℃; for 48h;

upstream raw materials:

NH-pyrazole

1-(β-chloroethyl)pyrazole

ethylene dibromide

1H-imidazole

Downstream raw materials:

1-((1H-pyrazol-1-yl)ethyl)-1H-pyrazole