4-(5-Methyl-1,2,4-oxadiazol-3-yl)pyridine

Base Information

• Chemical Name: 4-(5-Methyl-1,2,4-oxadiazol-3-yl)pyridine
• CAS No.: 10350-70-6
• Molecular Formula: C₈H₇N₃O
• Molecular Weight: 161.163
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50378009
• Wikidata: Q82167432
• Mol file: 10350-70-6.mol

Synonyms:10350-70-6;4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine;5-methyl-3-pyridin-4-yl-1,2,4-oxadiazole;5-Methyl-3-(pyridin-4-yl)-1,2,4-oxadiazole;MFCD00464110;5-Methyl-3-(4-pyridyl)-1,2,4-oxadiazole;SCHEMBL2655691;DTXSID50378009;STK325024;AKOS005257466;PS-11578;FT-0713085;Diethyltrans-4-methylene-1,2-cyclopentanedicarboxylate;5-Methyl-3-(4-pyridyl)-1,2,4-oxadiazole, 97%, AldrichCPR

Chemical Property of 4-(5-Methyl-1,2,4-oxadiazol-3-yl)pyridine

Chemical Property:

• Vapor Pressure: 0.000485mmHg at 25°C
• Boiling Point: 323.8°Cat760mmHg
• Flash Point: 158.8°C
• PSA: 51.81000
• Density: 1.207g/cm³
• LogP: 1.44000
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 161.058911855
• Heavy Atom Count: 12
• Complexity: 147

Purity/Quality:

97% ^*data from raw suppliers

4-(5-Methyl-1,2,4-oxadiazol-3-yl)pyridine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 22-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=NO1)C2=CC=NC=C2

Technology Process of 4-(5-Methyl-1,2,4-oxadiazol-3-yl)pyridine

There total 3 articles about 4-(5-Methyl-1,2,4-oxadiazol-3-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: 78.0%

pyridine-4-carboxamidoxime (1594-57-6,849833-58-5) + ethyl acetate (141-78-6) → 5-methyl-3-(pyridin-4-yl)-1,2,4-oxadiazole (10350-70-6)

Guidance literature:

With sodium hydroxide; In dimethyl sulfoxide; at 20 ℃; for 4h;

DOI:10.1016/j.tetlet.2019.151108

Reference yield:

pyridine-4-carbonitrile (100-48-1) → 5-methyl-3-(pyridin-4-yl)-1,2,4-oxadiazole (10350-70-6)

Guidance literature:

Multi-step reaction with 2 steps

1: hydroxylamine hydrochloride; sodium hydrogencarbonate / ethanol / 6 h / Reflux

2: sodium hydroxide / dimethyl sulfoxide / 4 h / 20 °C

With hydroxylamine hydrochloride; sodium hydrogencarbonate; sodium hydroxide; In ethanol; dimethyl sulfoxide;

DOI:10.1016/j.tetlet.2019.151108

Reference yield:

→ 5-methyl-3-(pyridin-4-yl)-1,2,4-oxadiazole (10350-70-6)

Guidance literature:

entspr. Cyanopyridin, NH2OH, Ac2O;

upstream raw materials:

pyridine-4-carbonitrile

pyridine-4-carboxamidoxime

ethyl acetate

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