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25433-36-7

25433-36-7 Structure

25433-36-7 Structure
IdentificationBack Directory
[Name]

5-Methyl-3-(pyridin-2-yl)-1H-1,2,4-triazole
[CAS]

25433-36-7
[Synonyms]

DK7364
DK7410
3-Methyl-5-(2-pyridyl)-1,2,4-triazol
3-(2-Pyridyl)-5-methyl-1,2,4-triazole
3-Methyl-5-(pyridin-2-yl)-1,2,4-triazole
2-(5-methyl-2H-1,2,4-triazol-3-yl)pyridine
2-(3-Methyl-1H-1,2,4-triazol-5-yl)pyridine
2-(5-Methyl-1H-1,2,4-triazol-3-yl)pyridine
5-Methyl-3-(pyridin-2-yl)-1H-1,2,4-triazole
Pyridine, 2-(5-methyl-1H-1,2,4-triazol-3-yl)-
Pyridine, 2-(3-methyl-1H-1,2,4-triazol-5-yl)-
[Molecular Formula]

C8H8N4
[MDL Number]

MFCD11106659
[MOL File]

25433-36-7.mol
[Molecular Weight]

160.18
Chemical PropertiesBack Directory
[Melting point ]

162-165℃
[Boiling point ]

393.5±34.0 °C(Predicted)
[density ]

1.241
[storage temp. ]

2-8°C
[pka]

8.62±0.40(Predicted)
[Appearance]

White to off-white Solid
[InChI]

InChI=1S/C8H8N4/c1-6-10-8(12-11-6)7-4-2-3-5-9-7/h2-5H,1H3,(H,10,11,12)
[InChIKey]

BJDVHKDTPXZGEZ-UHFFFAOYSA-N
[SMILES]

C1(C2NN=C(C)N=2)=NC=CC=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Spectrum DetailBack Directory
[Spectrum Detail]

5-Methyl-3-(pyridin-2-yl)-1H-1,2,4-triazole(25433-36-7)1HNMR
Hazard InformationBack Directory
[Synthesis]

2-Cyanopyridine

100-70-9

Acethydrazide

1068-57-1

5-Methyl-3-(pyridin-2-yl)-1H-1,2,4-triazole

25433-36-7

General procedure for the synthesis of 2-(3-methyl-1H-1,2,4-triazol-5-yl)pyridine from 2-cyanopyridine and acetylhydrazine: firstly, 5 mL of methanol solution of sodium methanolate (35 wt%) was added to 20 mL of methanol solution containing 2-cyanopyridine (0.05 mol) and stirred for 1 hour at room temperature. Subsequently, the corresponding acetylhydrazine was added to the resulting bisiminoester solution and the reaction was refluxed for 10 hours. Upon completion of the reaction, the mixture was cooled to room temperature and the solvent was removed by distillation under reduced pressure. The resulting residue was diluted with water and acidified with 2 mL of acetic acid to give a white solid product. The crystals were separated by filtration, dried and purified by recrystallization from toluene (product labeled HL1-3). The physical properties and analytical data of the compound HL1-3 are shown in Table 1 and its spectral data are shown in Table 2.

[References]

[1] Chemical Papers, 2017, vol. 71, # 10, p. 2003 - 2009
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