ChemicalBook--->CAS DataBase List--->138624-97-2

138624-97-2

138624-97-2 Structure

138624-97-2 Structure
IdentificationBack Directory
[Name]

1H-1,2,4-Triazole-3-carboxylic acid, 1-(phenylmethyl)-
[CAS]

138624-97-2
[Synonyms]

1-benzyl-1,2,4-triazole-3-carboxylic acid
1-Benzyl-1H-1,2,4-triazole-3-carboxylic acid
1-(Phenylmethyl)-1H-1,2,4-triazole-3-carboxylic acid
1H-1,2,4-Triazole-3-carboxylic acid, 1-(phenylmethyl)-
[Molecular Formula]

C10H9N3O2
[MDL Number]

MFCD13191550
[MOL File]

138624-97-2.mol
[Molecular Weight]

203.2
Chemical PropertiesBack Directory
[Boiling point ]

459.3±38.0 °C(Predicted)
[density ]

1.34
[storage temp. ]

2-8°C
[pka]

3.50±0.10(Predicted)
[Appearance]

White to off-white Solid
Spectrum DetailBack Directory
[Spectrum Detail]

1H-1,2,4-Triazole-3-carboxylic acid, 1-(phenylmethyl)-(138624-97-2)1HNMR
Hazard InformationBack Directory
[Synthesis]

1H-1,2,4-Triazole-3-carboxylic acid, 1-(phenylmethyl)-, ethyl ester

1097069-39-0

1H-1,2,4-Triazole-3-carboxylic acid, 1-(phenylmethyl)-

138624-97-2

To 10 mL of ethanol was added 1.2 g (6 mmol) of ethyl 1-benzyl-1H-[1,2,4]triazole-3-carboxylate followed by 1.4 mL (8 mmol) of 6 M sodium hydroxide solution. The reaction mixture was stirred at room temperature for 16 hours. Upon completion of the reaction, the mixture was concentrated to remove ethanol. The concentrated mixture was acidified by adding 1 M hydrochloric acid solution to the concentrated mixture until the pH dropped to the acidic range, at which point the target product precipitated as a precipitate. The precipitate was collected by filtration and dried to give 1.1 g (99% yield) of 1-(phenylmethyl)-1H-1,2,4-triazole-3-carboxylic acid. Mass spectrometry analysis showed a molecular ion peak m/z of 204.1 (MH+).

[References]

[1] Patent: US2009/12063, 2009, A1. Location in patent: Page/Page column 16
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