206257-39-8
Ethyl 6-bromo-4-chloroquinoline-3-carboxylate
CAS: 206257-39-8
Molecular Formula: C12H9BrClNO2
206257-39-8 - Names and Identifiers
206257-39-8 - Physico-chemical Properties
| Molecular Formula | C12H9BrClNO2 |
| Molar Mass | 314.56 |
| Density | 1.578 |
| Melting Point | 100-102° |
| Boling Point | 378.3±37.0 °C(Predicted) |
| Flash Point | 182.6°C |
| Water Solubility | Immiscible in water. |
| Vapor Presure | 6.33E-06mmHg at 25°C |
| pKa | 0.98±0.27(Predicted) |
| Storage Condition | under inert gas (nitrogen or Argon) at 2-8°C |
| Refractive Index | 1.632 |
206257-39-8 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36 - Irritating to the eyes |
| Safety Description | 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| Hazard Class | IRRITANT |
206257-39-8 - Reference Information
| use | ethyl 6-bromo-4-chloro-3-quinoline carboxylate can be used as an intermediate in pharmaceutical synthesis. |
| Preparation | Ethyl 6-bromo-4-chloro-3-quinoline carboxylate can be made of 6-bromo-1-[(4-methoxyphenyl) methyl]-4-oxoquinoline-3-ethyl formate as the reaction raw material, it is prepared under the action of thionyl chloride. DMF(0.119mL,1.54mmol) was added to 6-bromo-1-[(4-methoxyphenyl) methyl]-4-oxoquinoline-3-ethyl formate (160g,384.37mmol) in thionyl chloride (800mL) at ambient temperature under air. The resulting mixture was stirred at 75°C for 16h and then the solvent was removed under reduced pressure. The resulting mixture was azeotropic twice with toluene and then n-hexane (500mL) was added. The precipitate was collected by filtration, washed with n-hexane (200mL) and dried under vacuum to obtain the desired substance (100g,83%) as a brown solid. NMR spectrum: 1HNMR(400MHz,CDCl3)δ1.47(3H,t),4.51(2H,q),7.95(1H,dd),8.11(1H,d),8.60(1H,d),9.24(1H,s). Mass spectrometry: m/z(ES )[M H] = 314,316. |
Last Update：2024-04-10 22:29:15
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