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| | 7-(TRIFLUOROMETHYL)-4-QUINOLINOL Basic information |
| | 7-(TRIFLUOROMETHYL)-4-QUINOLINOL Chemical Properties |
| Melting point | 266-269 °C(lit.) | | Boiling point | 311.9±37.0 °C(Predicted) | | density | 1.3581 (estimate) | | storage temp. | 2-8°C | | pka | 3.79±0.40(Predicted) | | form | Powder | | color | Light grayish to beige | | InChI | 1S/C10H6F3NO/c11-10(12,13)6-1-2-7-8(5-6)14-4-3-9(7)15/h1-5H,(H,14,15) | | InChIKey | OWPLFJSQLPTCHS-UHFFFAOYSA-N | | SMILES | Oc1ccnc2cc(ccc12)C(F)(F)F | | CAS DataBase Reference | 322-97-4(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-37/39 | | WGK Germany | 3 | | HazardClass | IRRITANT | | HS Code | 29334990 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 7-(TRIFLUOROMETHYL)-4-QUINOLINOL Usage And Synthesis |
| Chemical Properties | Light greyish-beige powder | | Uses | 4-Hydroxy-7-(trifluoromethyl)quinoline was used in the synthesis of 4[[7-(trifluoromethyl)quinolin-4-yl]oxy]pthalonitrile. | | Definition | ChEBI: 7-(trifluoromethyl)-1H-quinolin-4-one is a member of quinolines. | | Synthesis | General procedure for the synthesis of 4-hydroxy-7-(trifluoromethyl)quinoline-3-carboxylic acid from ethyl 4-hydroxy-7-(trifluoromethyl)quinoline-3-carboxylate: Compound I-D (5 g) and potassium hydroxide (3 equiv.) were dissolved in 60 ml of a solvent mixture of water and ethylene glycol (1:1) in a sealed XP-500 Plus container. The reaction was microwave heated at 200°C and 220-240 psi pressure for 30 minutes using a MARS 5 microwave system. After completion of the reaction, the mixture was cooled to room temperature and poured into 100 ml of water. The solution was acidified to pH ≈ 6 with 2N hydrochloric acid, subsequently saturated with sodium chloride and extracted with tetrahydrofuran (3 x 200 ml). The organic layers were combined, washed with brine and concentrated to give compounds I-E in over 80% yield. | | References | [1] Patent: WO2005/63739, 2005, A1. Location in patent: Page/Page column 45-46
[2] Journal of Medicinal Chemistry, 1998, vol. 41, # 25, p. 4918 - 4926
[3] Journal of the American Chemical Society, 1947, vol. 69, p. 371,373 |
| | 7-(TRIFLUOROMETHYL)-4-QUINOLINOL Preparation Products And Raw materials |
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