2-(1H-pyrazol-1-yl)pyridine

Base Information

• Chemical Name: 2-(1H-pyrazol-1-yl)pyridine
• CAS No.: 25700-11-2
• Molecular Formula: C8H7 N3
• Molecular Weight: 145.164
• Hs Code.: 2933399990
• European Community (EC) Number: 808-201-2
• DSSTox Substance ID: DTXSID80415870
• Nikkaji Number: J544.321K
• Wikidata: Q82224916
• Mol file: 25700-11-2.mol

Synonyms:2-(1H-pyrazol-1-yl)pyridine;25700-11-2;2-PYRAZOL-1-YL-PYRIDINE;2-pyrazol-1-ylpyridine;2-(1-pyrazolyl)pyridine;MFCD09033534;n-pyridylpyrazole;YSWG788;SCHEMBL173802;1-(2-Pyridyl)-1H-pyrazole;AMY5537;DTXSID80415870;XXTPHXNBKRVYJI-UHFFFAOYSA-N;AKOS009581507;DS-7466;AC-31843;CS-0155838;FT-0729500;P2239;EN300-62069;A852663;F6592-2225;Z431509814;InChI=1/C8H7N3/c1-2-5-9-8(4-1)11-7-3-6-10-11/h1-7

Chemical Property of 2-(1H-pyrazol-1-yl)pyridine

Chemical Property:

• Melting Point: 37.0 to 41.0 °C
• Boiling Point: 265.6±13.0 °C(Predicted)
• PKA: 2.83±0.10(Predicted)
• PSA: 30.71000
• Density: 1.16±0.1 g/cm3(Predicted)
• LogP: 1.26730
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 145.063997236
• Heavy Atom Count: 11
• Complexity: 127

Purity/Quality:

97% ^*data from raw suppliers

2-(1H-Pyrazol-1-yl)pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=NC(=C1)N2C=CC=N2

Technology Process of 2-(1H-pyrazol-1-yl)pyridine

There total 1 articles about 2-(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:

pyridine (110-86-1) + 1-trimethylsilylpyrazole (18156-75-7) → 2-chloropyridine (109-09-1) + 2-fluoropyridine (372-48-5) + 2-(pyrazol-1-yl)pyridine (25700-11-2)

Guidance literature:

With tetrabutyl ammonium fluoride; fluorine; Yield given. Multistep reaction. Yields of byproduct given; 1.) CH₂Cl₂, -50 deg C, 2.) CH₂Cl₂, a) -50 deg C, 1 h, b) -50 to 0 deg C, 1 h, c) 0 deg C, 0.5 h;

DOI:10.1021/jo00068a053

Reference yield: 97.0%

methylphenyltin(IV) dichloride (15649-26-0) + 2-(pyrazol-1-yl)pyridine (25700-11-2) → trans-methylphenyl(tin)Cl2{1(2-pyridyl)pyrazole}

Guidance literature:

In hexane; hexane soln. of starting compounds is stirred under N2 atmosphere and then heated (reflux, 30 min.); complex sepd. as white ppt. after cooling; filtration of the white solid; washing with hexane; drying in vacuo for 1 h; elem. anal.;

Reference yield: 97.0%

2-(pyrazol-1-yl)pyridine (25700-11-2) → 2-(4-bromo-1H-pyrazol-1-yl)pyridine (77556-27-5)

Guidance literature:

With bromine; In acetic acid; for 5h; Ambient temperature;

upstream raw materials:

pyridine

1-trimethylsilylpyrazole

Downstream raw materials:

2-(4-bromo-1H-pyrazol-1-yl)pyridine

2-(pyrazol-1'-yl)pyridine-4'-carboxylic acid

1-(pyridin-2-yl)-1H-pyrazol-4-amine

Pd(C₆F₅)2(pzpy)