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| | 2,8-Bis(trifluoromethyl)-4-quinolinol Basic information |
| | 2,8-Bis(trifluoromethyl)-4-quinolinol Chemical Properties |
| Melting point | 130-134 °C(lit.) | | Boiling point | 305.9±37.0 °C(Predicted) | | density | 1.4837 (estimate) | | storage temp. | Inert atmosphere,Room Temperature | | form | Liquid | | pka | 5.84±0.40(Predicted) | | color | Clear colorless to slightly yellow | | InChI | InChI=1S/C11H5F6NO/c12-10(13,14)6-3-1-2-5-7(19)4-8(11(15,16)17)18-9(5)6/h1-4H,(H,18,19) | | InChIKey | JIWHKBAFGFPZKM-UHFFFAOYSA-N | | SMILES | N1C2C(=CC=CC=2C(F)(F)F)C(O)=CC=1C(F)(F)F | | CAS DataBase Reference | 35853-41-9(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-37/39 | | RIDADR | 2811 | | WGK Germany | 3 | | HazardClass | IRRITANT | | HS Code | 29334900 |
| | 2,8-Bis(trifluoromethyl)-4-quinolinol Usage And Synthesis |
| Chemical Properties | light grey powder | | Synthesis | 2-(Trifluoromethyl)aniline (0.54 mL, 4.3 mmol) and ethyl 4,4,4-trifluoro-3-oxobutanoate (0.62 mL, 4.3 mmol) were mixed in a round-bottomed flask fitted with a large oval stir bar. Subsequently, polyphosphoric acid (4.0 g) was added to the reaction system. The reaction mixture was stirred at 120 °C for 3 h under nitrogen protection. Upon completion of the reaction, the reaction was quenched with ice water (50 mL) to give a golden-brown sticky substance. Extraction was carried out with dichloromethane (2 x 20 mL) and the organic layers were combined and dried over anhydrous magnesium sulfate. After filtration, the organic phase was concentrated under reduced pressure to give a beige solid product that did not require further purification (0.27 g, 23% yield). | | References | [1] European Journal of Medicinal Chemistry, 2010, vol. 45, # 8, p. 3374 - 3383
[2] Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 2012, vol. 51, # 9, p. 1411 - 1416,6
[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] CrystEngComm, 2018, vol. 20, # 16, p. 2316 - 2323 |
| | 2,8-Bis(trifluoromethyl)-4-quinolinol Preparation Products And Raw materials |
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