| Identification | More | [Name]
7-(TRIFLUOROMETHYL)-4-QUINOLINOL | [CAS]
322-97-4 | [Synonyms]
4-HYDROXY-7-(TRIFLUOROMETHYL)QUINOLINE
7-TRIFLUOROMETHYL-4(1H)-QUINOLINONE
7-(TRIFLUOROMETHYL)-4-QUINOLINOL
BUTTPARK 21\09-46
7-(trifluorophenyl)quinolin-4-ol
4-Hydroxy-7-(trifluoromethyl)quinoline 98%
4-Hydroxy-7-(trifluoromethyl)quinoline98%
7-(TRIFLUOROMETHYL)-4-QUINOLINOL 97% | [EINECS(EC#)]
206-298-0 | [Molecular Formula]
C10H6F3NO | [MDL Number]
MFCD00006779 | [Molecular Weight]
213.16 | [MOL File]
322-97-4.mol |
| Chemical Properties | Back Directory | [Appearance]
Light greyish-beige powder | [Melting point ]
266-269 °C(lit.) | [Boiling point ]
311.9±37.0 °C(Predicted) | [density ]
1.3581 (estimate) | [storage temp. ]
2-8°C | [form ]
Powder | [pka]
3.79±0.40(Predicted) | [color ]
Light grayish to beige | [InChIKey]
OWPLFJSQLPTCHS-UHFFFAOYSA-N | [CAS DataBase Reference]
322-97-4(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29334990 |
| Hazard Information | Back Directory | [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 |
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