2-氰基异烟酸甲酯
Methyl 2-cyanoisonicotinate
CAS: 94413-64-6
Molecular Formula: C8H6N2O2
2-氰基异烟酸甲酯 - Names and Identifiers
2-氰基异烟酸甲酯 - Physico-chemical Properties
| Molecular Formula | C8H6N2O2 |
| Molar Mass | 162.15 |
| Density | 1.25±0.1 g/cm3(Predicted) |
| Melting Point | 107-109℃ |
| Boling Point | 296.6±25.0 °C(Predicted) |
| Water Solubility | Slightly Soluble in water (6.2 g/L) (25°C). |
| Appearance | Pale brown solid |
| pKa | -2.43±0.10(Predicted) |
| Storage Condition | Inert atmosphere,Room Temperature |
| Use | 2-cyano-4-pyridinecarboxylic acid methyl ester can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory organic synthesis and chemical medicine research and development process. |
2-氰基异烟酸甲酯 - Risk and Safety
| Hazard Class | 6.1 |
2-氰基异烟酸甲酯 - Production method
the target compound was prepared by oxidation, amidation and dehydration with methyl 2-methyl 4-pyridinecarboxylate (2) as the starting material. its structure was confirmed by 1H NMR and MS, and the total yield was 53.0%. The effects of feeding ratio, crystallization temperature, reaction time and other factors on the product were studied by single-factor experiments, and the process conditions were optimized: n(2):n (potassium permanganate) = 1.0:2.5, crystallization temperature 0~5 ℃;n (methyl 2-carboxyl -4-pyridinecarboxylate):n (sulfoxide) = 1.0:1.4, reaction; the dehydration reaction selects the trifluoroacetic anhydride-triethylamine system as the dehydrating agent. The process is simple to operate, the reaction conditions are mild, easy to scale up production, and has good practical application value.
Last Update：2024-04-10 22:29:15
2-氰基异烟酸甲酯 - Use
Tobisostat is used to treat chronic hyperuricemia of gout. Compared with the traditional drug allopurinol (purine analog), it will not affect purine and pyridine metabolism and enzyme activity, and it reduces uric acid The effect is stronger, no large-dose repeated administration is required, and the safety is better. Methyl 2-cyano-4-pyridine carboxylate is an important raw material for the synthesis of Tobiso.
Last Update：2024-04-09 21:04:16
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