2,8-BIS(TRIFLUOROMETHYL)-4-CHLOROQUINOLINE CAS 83012-13-9
Introduction：Basic information about 2,8-BIS(TRIFLUOROMETHYL)-4-CHLOROQUINOLINE CAS 83012-13-9, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
2,8-BIS(TRIFLUOROMETHYL)-4-CHLOROQUINOLINE Basic information
| Product Name: | 2,8-BIS(TRIFLUOROMETHYL)-4-CHLOROQUINOLINE |
| Synonyms: | 2,8-BIS(TRIFLUOROMETHYL)-4-CHLOROQUINOLINE;4-CHLORO-2,8-DI(TRIFLUOROMETHYL)QUINOLINE;4-CHLORO-2,8-BIS(TRIFLUOROMETHYL)QUINOLINE;BUTTPARK 147\04-11;4-Chloro-2,8-bis(trifluoromethyl)quinolone;2,8-Bis(trifluoromethyl)-4-chloroquinoline 97%;2,8-Bis(trifluoromethyl)-4-chloroquinoline97%;4-CHLORO-2 8-BIS(TRIFLUOROMETHYL)QUINOLINE 97% |
| CAS: | 83012-13-9 |
| MF: | C11H4ClF6N |
| MW: | 299.6 |
| EINECS: | 280-132-5 |
| Product Categories: | Quinoline&Isoquinoline;Building Blocks;Halogenated Heterocycles;Heterocyclic Building Blocks;Quinolines;QuinolinesHeterocyclic Building Blocks |
| Mol File: | 83012-13-9.mol |
2,8-BIS(TRIFLUOROMETHYL)-4-CHLOROQUINOLINE Chemical Properties
| Melting point | 46-48 °C (lit.) |
| Boiling point | 148-152 °C(Press: 18 Torr) |
| density | 1.5242 (estimate) |
| Fp | >230 °F |
| storage temp. | under inert gas (nitrogen or Argon) at 2-8°C |
| pka | -3.49±0.50(Predicted) |
| form | Crystalline Powder |
| color | Beige |
| InChI | 1S/C11H4ClF6N/c12-7-4-8(11(16,17)18)19-9-5(7)2-1-3-6(9)10(13,14)15/h1-4H |
| InChIKey | ZSQOESPYYNJBCZ-UHFFFAOYSA-N |
| SMILES | FC(F)(F)c1cc(Cl)c2cccc(c2n1)C(F)(F)F |
| CAS DataBase Reference | 83012-13-9(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-37/39 |
| WGK Germany | 3 |
| HazardClass | IRRITANT |
| HS Code | 29334900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
| Chemical Properties | beige crystalline powder |
| Uses | 4-Chloro-2,8-bis(trifluoromethyl)quinolone is the intermediate formed during the synthesis of quinoline derivatives. |
| General Description | 4-Chloro-2,8-bis(trifluoromethyl)quinolone is the intermediate formed during the synthesis of quinoline derivatives. |
| Synthesis | 35853-41-9 83012-13-9 General procedure for the synthesis of 4-chloro-2,8-bis(trifluoromethyl)quinoline from 2,8-bis(trifluoromethyl)-4-hydroxyquinoline: 2,8-bis(trifluoromethyl)quinolin-4-ol (0.25 g, 0.89 mmol) was dissolved in phosphorus trichloride (5 mL) and the reaction was carried out at reflux for 5 h at 80 °C under nitrogen protection. Upon completion of the reaction, the reaction mixture was quenched with 30 mL of ice water and extracted with dichloromethane (2 x 20 mL). The organic phases were combined, dried with anhydrous magnesium sulfate, filtered and concentrated under reduced pressure to give a light yellow solid product (0.13 g, 50% yield), which could be used in subsequent reactions without further purification. |
| References | [1] Tetrahedron, 1991, vol. 47, # 36, p. 7609 - 7614 [2] European Journal of Medicinal Chemistry, 2010, vol. 45, # 8, p. 3374 - 3383 [3] Monatshefte fur Chemie, 2008, vol. 139, # 2, p. 179 - 181 [4] Bioorganic and Medicinal Chemistry Letters, 2014, vol. 24, # 23, p. 5466 - 5469 [5] Patent: US4429130, 1984, A |
2,8-BIS(TRIFLUOROMETHYL)-4-CHLOROQUINOLINE Preparation Products And Raw materials
| Raw materials | 2,8-Bis(trifluoromethyl)-4-quinolinol |
