| Identification | Back 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 Properties | Back 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 |
| Hazard Information | Back Directory | [Synthesis]
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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