2-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine

Base Information

• Chemical Name: 2-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine
• CAS No.: 21018-71-3
• Molecular Formula: C₁₀H₁₁N₃
• Molecular Weight: 173.217
• European Community (EC) Number: 818-785-0
• DSSTox Substance ID: DTXSID80350338
• Nikkaji Number: J1.063.244G
• Wikidata: Q82126209
• Mol file: 21018-71-3.mol

Synonyms:2-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine;21018-71-3;2-(3,5-dimethylpyrazol-1-yl)pyridine;3,5-Dimethyl-1-(pyridin-2-yl)-1H-pyrazole;1-(2-Pyridyl)-3,5-dimethylpyrazole;2-(3,5-Dimethylpyrazol-1-yl)pyridine;3,5-Dimethyl-1-(2-pyridyl)pyrazole;Pyridine, 2-(3,5-dimethyl-1H-pyrazol-1-yl)-;SCHEMBL3461571;DTXSID80350338;DQJACDPPPOAZOZ-UHFFFAOYSA-N;Cl-5800;STL563322;(3,5-dimethylpyrazol-1-yl) pyridine;AKOS008956600;CS-0021777;EN300-31409;Z50146948

Chemical Property of 2-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine

Chemical Property:

• Melting Point: 245 °C (decomp)
• Boiling Point: 122 °C(Press: 3 Torr)
• PKA: 2.84±0.10(Predicted)
• PSA: 30.71000
• Density: 1.11±0.1 g/cm3(Predicted)
• LogP: 1.88410
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 173.095297364
• Heavy Atom Count: 13
• Complexity: 172

Purity/Quality:

99% ^*data from raw suppliers

2-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NN1C2=CC=CC=N2)C

Technology Process of 2-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine

There total 7 articles about 2-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine 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: 98.0%

2-(pyridin-2-yl)hydraziniumcarboxylate + acetylacetone (123-54-6,81235-32-7) → 2-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine (21018-71-3)

Guidance literature:

In neat (no solvent, solid phase); for 1h; Solvent;

Reference yield: 96.0%

2-bromo-pyridine (109-04-6) + 3,5-dimethyl-1H-pyrazole (67-51-6) → 2-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine (21018-71-3)

Guidance literature:

With potassium phosphate; 6-(1H-pyrazol-1-yl)pyridine-3-carboxylic acid; copper(l) chloride; In N,N-dimethyl-formamide; at 100 ℃; for 24h; Inert atmosphere;

DOI:10.1016/j.tet.2010.09.102

Reference yield: 94.0%

pyrid-2-ylhydrazine (4930-98-7) + acetylacetone (123-54-6,81235-32-7) → 2-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine (21018-71-3)

Guidance literature:

With sulfuric acid; In ethanol; for 18h; Reflux;

DOI:10.1016/j.jfluchem.2015.10.016

upstream raw materials:

pyrid-2-ylhydrazine

acetylacetone

2-bromo-pyridine

3,5-dimethyl-1H-pyrazole

Downstream raw materials:

bis(3,5-dimethyl-1-(pyridin-2-yl)-1H-pyrazol-4-yl)methane

SnPh₂Br₂(3,5-dimethyl-1-(2'-pyridyl)pyrazole)

triphenylphosphine 3,5-dimethyl-1-(2'-pyridyl)pyrazolegold(I) perchlorate