Nicotinic acid, 5-fluoro-
5-fluoronicotinic acid
CAS: 402-66-4
Molecular Formula: C6H4FNO2
Nicotinic acid, 5-fluoro- - Names and Identifiers
| Name | 5-fluoronicotinic acid |
| Synonyms | AURORA KA-3033 5-Fluoronicotonicac 5-Fluoronicotinic ac 5-fluoronicotinic acid 5-FLUORONICOTINIC ACID Nicotinic acid, 5-fluoro- Benzene, 1-fluoro-3-nitro- 5-fluoro-3-pyridinecarboxylicaci 5-FLUOROPYRIDINE-3-CARBOXYLIC ACID 5-Fluoro-3-pyridinecarboxylic acid 3-Pyridinecarboxylic acid, 5-fluoro- 5-Fluoropyridine-3-carboxylic acid, 3-Carboxy-5-fluoropyridine |
| CAS | 402-66-4 |
| EINECS | 674-996-6 |
| InChI | InChI=1/C6H4FNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H |
| InChIKey | BXZSBDDOYIWMGC-UHFFFAOYSA-N |
Nicotinic acid, 5-fluoro- - Physico-chemical Properties
| Molecular Formula | C6H4FNO2 |
| Molar Mass | 141.1 |
| Density | 1.419±0.06 g/cm3(Predicted) |
| Melting Point | 193-198℃ |
| Boling Point | 272.2±20.0 °C(Predicted) |
| Flash Point | 76.7°C |
| Solubility | Soluble in methanol. |
| Vapor Presure | 0.473mmHg at 25°C |
| Appearance | Crystallization |
| Color | Off-white |
| pKa | 3.13±0.10(Predicted) |
| Storage Condition | Inert atmosphere,Room Temperature |
| Refractive Index | 1.534 |
| MDL | MFCD01318537 |
| Physical and Chemical Properties | 5-fluoronicotinic acid is white or light yellow solid at normal temperature and pressure, which contains both basic pyridine units and acidic carboxyl groups, therefore, special attention should be paid to the pH of the reaction system in the preparation and application of compounds. |
Nicotinic acid, 5-fluoro- - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
| WGK Germany | 3 |
| RTECS | US5745250 |
| HS Code | 29339900 |
| Hazard Class | IRRITANT |
Nicotinic acid, 5-fluoro- - Reference Information
| Uses | 5-fluorocinic acid can be used to prepare pesticides, daily chemicals and animal husbandry food additives, etc. In organic synthesis and transformation, the carboxyl group in the structure can be reduced to hydroxyl group by lithium tetrahydroaluminum, and the carboxyl group can also be converted into ester group or amide group. 5-Fluoronicotinic acid is a derivative pyridine compound, which is also well used in the synthesis of tridentate nitrogen-containing ligands. |
| synthesis method | add methanol (240 ml) and N,N-diisopropylethylamine (8.30 ml, 48.0 ml) into a 1L round bottom flask equipped with magnetic stir bar and 2, 6-dichloro-5-fluoronicotinic acid (5.00g, 23.8 ml), 500 mg of palladium on carbon (10% by weight) was carefully added to the solution, the resulting reaction mixture was purged with hydrogen, and placed in an atmosphere of H2(1 atmosphere) with a balloon. Let the reactants be stirred at ambient temperature for 12 hours, and then filtered through diatomite. The filtrate is concentrated to about 25 ml in vacuum and diluted with about 250 ml of Et2O. The formed precipitate (DIPEA/HCl salt) is filtered with a Brinell funnel. The obtained filtrate is concentrated in vacuum to obtain 3.2 grams (98%) of 5-fluorocinic acid in yellow oil. Figure 5-Synthesis route of fluoronicotinic acid |
Last Update：2024-04-09 15:16:50
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