Quinoline, 4-chloro-2-(trifluoromethyl)-
4-Chloro-2-(trifluoromethyl)quinoline
CAS: 1701-24-2
Molecular Formula: C10H5ClF3N
Quinoline, 4-chloro-2-(trifluoromethyl)- - Names and Identifiers
| Name | 4-Chloro-2-(trifluoromethyl)quinoline |
| Synonyms | BUTTPARK 29 4-05 2-TrifluoroMethyl-4-chloroquinoline 4-Chloro-2-(trifluoromethyl)quinoline 4-CHLORO-2-(TRIFLUOROMETHYL)QUINOLINE Quinoline, 4-chloro-2-(trifluoromethyl)- 4-chloro-6-methyl-2-(trifluoromethyl)quinoline |
| CAS | 1701-24-2 |
| InChI | InChI=1/C11H7ClF3N/c1-6-2-3-9-7(4-6)8(12)5-10(16-9)11(13,14)15/h2-5H,1H3 |
Quinoline, 4-chloro-2-(trifluoromethyl)- - Physico-chemical Properties
| Molecular Formula | C10H5ClF3N |
| Molar Mass | 231.6 |
| Density | 1.427±0.06 g/cm3(Predicted) |
| Melting Point | 34-38 °C |
| Boling Point | 236.4±35.0 °C(Predicted) |
| Flash Point | 225°C |
| Vapor Presure | 0.0222mmHg at 25°C |
| pKa | -1.19±0.50(Predicted) |
| Storage Condition | under inert gas (nitrogen or Argon) at 2-8°C |
| Refractive Index | 1.55 |
Quinoline, 4-chloro-2-(trifluoromethyl)- - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and 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. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S37/39 - Wear suitable gloves and eye/face protection |
| WGK Germany | 3 |
| Hazard Class | IRRITANT |
Quinoline, 4-chloro-2-(trifluoromethyl)- - Reference Information
| Use | 4-chloro-2-(trifluoromethyl) quinoline is a pharmaceutical intermediate that can be used to prepare N-(4-nitrophenylethyl)-2-(trifluoromethyl) quinolin-4-amine, which is a STAT3 inhibitor. |
| preparation | 4-chloro-2-(trifluoromethyl) quinoline (100.0mg,0.43mmol),2-(4-nitrophenyl) ethyl -1-amine hydrochloride (87.0mg,0.43mmol) and Et3N(180.0 μL), 1.29mmol) was added to NMP(1.0mL). The reaction mixture was allowed to react in a microwave oven (50W,100°C) for 1 hour, and then cooled to room temperature. After the addition of ice water, the reaction mixture was extracted with CH2Cl2. The organic layer was washed with brine, dried with Na2SO4 and filtered. The residues obtained under reduced pressure were purified by amine-silica column-on-column chromatography (CH2Cl2:MeOH = 20:1). The fraction containing the product was collected and evaporated to give a white solid compound, N-(4-nitrophenylethyl)-2-(trifluoromethyl) quinolin-4-amine (35.0mg,23%). |
Last Update：2024-04-09 21:01:54
