Boronic acid, 2-pyridinyl- (9CI)
2-Pyridineboronic acid
CAS: 197958-29-5
Molecular Formula: C5H6BNO2
Boronic acid, 2-pyridinyl- (9CI) - Names and Identifiers
| Name | 2-Pyridineboronic acid |
| Synonyms | Pyridin-2-bronic Acid 2-PYRIDINEBORNIC ACID 2-pyridylboronic acid 2-PYRIDINEBORONIC ACID 2-Pyridineboronic acid 2-PYRIDINYLBORONIC ACID PYRIDINE-2-BORONIC ACID PYRIDIN-2-YLBORONIC ACID PYRIDIN-2-YL-2-BORONIC ACID Boronic acid, 2-pyridinyl- (9CI) 2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE Pyridine-2-boronic acid(contains varying amounts of Anhydride) |
| CAS | 197958-29-5 |
| InChI | InChI=1/C5H6BNO2/c8-6(9)5-3-1-2-4-7-5/h1-4,8-9H |
| InChIKey | UMLDUMMLRZFROX-UHFFFAOYSA-N |
Boronic acid, 2-pyridinyl- (9CI) - Physico-chemical Properties
| Molecular Formula | C5H6BNO2 |
| Molar Mass | 122.92 |
| Density | 1.22±0.1 g/cm3(Predicted) |
| Melting Point | >300 |
| Boling Point | 308.8±34.0 °C(Predicted) |
| Flash Point | 140.547°C |
| Vapor Presure | 0mmHg at 25°C |
| pKa | 7.79±0.53(Predicted) |
| Storage Condition | Inert atmosphere,Store in freezer, under -20°C |
| Refractive Index | 1.534 |
| Physical and Chemical Properties | Storage condition: Store below -20C |
Boronic acid, 2-pyridinyl- (9CI) - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R41 - Risk of serious damage to eyes R37/38 - Irritating to 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. S39 - Wear eye / face protection. |
| WGK Germany | 3 |
| Hazard Note | Irritant/Keep Cold under -20C |
Boronic acid, 2-pyridinyl- (9CI) - Reference Information
| Use | 2-pyridinecarboxonic acid can be used as a pharmaceutical intermediate, for example, as a piperidinyl structural unit after coupling and reduction, ceritinib, a marketed drug for the synthetic treatment of ALK-positive metastatic non-small cell lung cancer. |
| synthesis methods | the existing synthesis methods of 2-pyridine-boronic acid mainly include two categories: 1) as early as 1965, bromopyridine was exchanged with butyl lithium, and then reacted with trimethyl borate. Acetic acid was added to quench the reaction under reflux, and the separation yield was 20%. The low yield is mainly due to the hydrophilicity of 2-pyridine boronic acid, which makes the separation and purification difficult. At the same time, under different pH conditions, the Amphoteric degree of 2-pyridine boronic acid is different. |
Last Update：2024-04-09 19:05:09
