5-Ethynyl-1H-pyrazole

Base Information

• Chemical Name: 5-Ethynyl-1H-pyrazole
• CAS No.: 23486-70-6
• Molecular Formula: C₅H₄N₂
• Molecular Weight: 92.1002
• European Community (EC) Number: 839-319-2
• ChEMBL ID: CHEMBL4563693
• Mol file: 23486-70-6.mol

Synonyms:5-ETHYNYL-1H-PYRAZOLE;23486-70-6;pyrazolylacetylene;CHEMBL4563693;5-ethynyl-1H-pyrazole, AldrichCPR;AKOS027269989;AB69175;CS-0309386;EN300-180778;F87873;Z1868316810

Chemical Property of 5-Ethynyl-1H-pyrazole

Chemical Property:

• Melting Point: 45-46 °C
• Boiling Point: 238.5±13.0 °C(Predicted)
• PKA: 12.32±0.10(Predicted)
• Density: 1.15±0.1 g/cm3(Predicted)
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 92.037448136
• Heavy Atom Count: 7
• Complexity: 99.9

Purity/Quality:

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

5-ethynyl-1H-pyrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C#CC1=CC=NN1

Technology Process of 5-Ethynyl-1H-pyrazole

There total 3 articles about 5-Ethynyl-1H-pyrazole 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:

diazomethane (186581-53-3,908094-01-9,334-88-3) + Butadiyne (460-12-8,27987-87-7) → 3-ethynyl-1(2)H-pyrazole (23486-70-6)

Guidance literature:

With diethyl ether;

Reference yield:

Butadiyne (460-12-8,27987-87-7) + diethyl ether (60-29-7,927820-24-4) → 3-ethynyl-1(2)H-pyrazole (23486-70-6)

Guidance literature:

at 0 ℃;

Reference yield:

→ 3-ethynyl-1(2)H-pyrazole (23486-70-6)

Guidance literature:

3-Ethinyl-1-(1-hydroxy-2-methyl-propyl)-pyrazol, Subl. (65-70grad/4mm);

DOI:10.1007/BF00486772

upstream raw materials:

diazomethane

Butadiyne

diethyl ether

Downstream raw materials:

3,3'-bi(1H-pyrazole)

3-ethyl-1H-pyrazole