[1,2,4]Triazolo[4,3-a]pyridine

Base Information

• Chemical Name: [1,2,4]Triazolo[4,3-a]pyridine
• CAS No.: 274-80-6
• Molecular Formula: C6H5N3
• Molecular Weight: 119.126
• Hs Code.: 2933990090
• NSC Number: 68457
• DSSTox Substance ID: DTXSID70950083
• Nikkaji Number: J101.064F
• Wikidata: Q82928059
• Mol file: 274-80-6.mol

Synonyms:(1,2,4)Triazolo(4,3-a)pyridine

Chemical Property of [1,2,4]Triazolo[4,3-a]pyridine

Chemical Property:

• Melting Point: 36-38 °C
• Refractive Index: 1.689
• Boiling Point: 218 °C(Press: 6 Torr)
• PKA: 3.20±0.30(Predicted)
• PSA: 30.19000
• Density: 1.29 g/cm³
• LogP: 0.72930
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 119.048347172
• Heavy Atom Count: 9
• Complexity: 105

Purity/Quality:

97% ^*data from raw suppliers

[1,2,4]Triazolo[4,3-a]pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=NN=CN2C=C1

Technology Process of [1,2,4]Triazolo[4,3-a]pyridine

There total 10 articles about [1,2,4]Triazolo[4,3-a]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: 96.0%

pyrid-2-ylhydrazine (4930-98-7) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → [1,2,4]triazolo[4,3-a]pyridine (274-80-6)

Guidance literature:

With Imidazole hydrochloride; at 153 ℃; Reagent/catalyst; Temperature; Catalytic behavior;

DOI:10.1016/j.tetlet.2020.151844

Reference yield: 83.3%

pyrid-2-ylhydrazine (4930-98-7) + orthoformic acid triethyl ester (122-51-0) → [1,2,4]triazolo[4,3-a]pyridine (274-80-6)

Guidance literature:

at 120 - 140 ℃; for 19h;

Reference yield: 70.0%

pyrid-2-ylhydrazine (4930-98-7) + nitromethane (75-52-5) → [1,2,4]triazolo[4,3-a]pyridine (274-80-6)

Guidance literature:

nitromethane; With polyphosphoric acid; at 130 ℃;

pyrid-2-ylhydrazine; at 130 ℃;

DOI:10.1039/d0ob01007c

upstream raw materials:

pyrid-2-ylhydrazine

formic acid

orthoformic acid triethyl ester

formaldehyd

Downstream raw materials:

1,2,4-triazole-3-carboxylic acid

3-bromo[1,2,4]triazolo[4,3-a]pyridine

3-phenyl-[1,2,4]triazolo[4,3-a]pyridine

3-(4-methylphenyl)[1,2,4]triazolo[4,3-a]pyridine