131747-43-8
2-(trifluoromethyl)nicotinic acid
CAS: 131747-43-8
Molecular Formula: C7H4F3NO2
131747-43-8 - Names and Identifiers
131747-43-8 - Physico-chemical Properties
| Molecular Formula | C7H4F3NO2 |
| Molar Mass | 191.11 |
| Density | 1.484±0.06 g/cm3(Predicted) |
| Melting Point | 184-188 °C |
| Boling Point | 259.9±40.0 °C(Predicted) |
| Flash Point | 111°C |
| Solubility | Methanol (Slightly) |
| Vapor Presure | 0.00642mmHg at 25°C |
| Appearance | White to beige powder or crystal |
| Color | Off-White |
| pKa | 2.50±0.36(Predicted) |
| Storage Condition | Inert atmosphere,Room Temperature |
| Refractive Index | 1.475 |
| MDL | MFCD01862052 |
131747-43-8 - Risk and Safety
| Risk Codes | R22 - Harmful if swallowed R36/37/38 - 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. S37 - Wear suitable gloves. |
| WGK Germany | 3 |
| HS Code | 29333990 |
| Hazard Class | IRRITANT |
131747-43-8 - Reference Information
| introduction | 2-(trifluoromethyl) nicotinic acid has a melting point of 184 to 188 degrees, a boiling point of 259.9±40.0°C at 760 mmHg, a density of 1.5, a solid powder in appearance at normal temperature and pressure, and its solubility in alcohol solvents is general. It can be used as an intermediate in organic synthesis. |
| Uses | 2-(trifluoromethyl) nicotinic acid is a common organic synthesis intermediate, mainly used for pyridine-containing drug molecules and nitrogen-containing ligands Structural modification and derivatization. Among them, the carboxyl group on the pyridine ring can be converted into an ester group, but the esterification reaction conditions promoted by acid are generally not used. The more common use is to first use dichlorosulfoxide to change the carboxyl group into an acid chloride and then add alcohol to it. Turn it into an ester group. Due to the presence of the strong electron-withdrawing group trifluoromethyl, this compound is often introduced into the nitrogen-containing ligand structure by forming amide bonds, ester bonds, etc. through the presence of carboxyl groups. |
| Synthesis method | For the synthesis of 2-(trifluoromethyl) nicotinic acid, the conventional synthesis method is from 3-bromo-2-trifluoromethylpyridine Starting from, prepare its bromine atom into a format reagent, and then react with carbon dioxide to obtain a product that introduces a carboxyl group at the bromine atom site. But this reaction route often requires heating, which may be caused by the steric hindrance of trifluoromethyl in the ortho position. It is worth noting that this synthetic route is generally more efficient. |
Last Update：2024-04-09 21:11:58
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