|
|
| | 2-FLUORO-4-(TRIFLUOROMETHYL)CINNAMIC ACID Basic information |
| Product Name: | 2-FLUORO-4-(TRIFLUOROMETHYL)CINNAMIC ACID | | Synonyms: | 2-FLUORO-4-(TRIFLUOROMETHYL)CINNAMIC ACID;RARECHEM AL BK 0319;(E)-3-[2-fluoro-4-(trifluoromethyl)phenyl]-2-propenoic acid;3-(2-Fluoro-4-(trifluoromethyl)phenyl)acrylic acid;2-Propenoic acid, 3-[2-fluoro-4-(trifluoromethyl)phenyl]-;(E)-3-2-Fluoro-4-(trifluoromethyl)phenylprop-2-enoic acid;3-[2-Fluoro-4-(trifluoromethyl)phenyl]-2-propenoic acid;(2Z)-3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-enoic acid | | CAS: | 262608-88-8 | | MF: | C10H6F4O2 | | MW: | 234.15 | | EINECS: | | | Product Categories: | Cinnamic acid | | Mol File: | Mol File |  |
| | 2-FLUORO-4-(TRIFLUOROMETHYL)CINNAMIC ACID Chemical Properties |
| Boiling point | 270.410±35.00 °C(Press: 760.00 Torr)(predicted) | | density | 1.439±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted) | | storage temp. | Sealed in dry,Room Temperature | | pka | 4.061±0.13(predicted) | | Appearance | White to off-white Solid |
| Hazard Codes | Xi | | HazardClass | IRRITANT | | HS Code | 2916399090 |
| | 2-FLUORO-4-(TRIFLUOROMETHYL)CINNAMIC ACID Usage And Synthesis |
| Synthesis | Example 3: General procedure for the synthesis of 3-(2-fluoro-4-(trifluoromethyl)phenyl)acrylic acid from malonic acid and 2-fluoro-4-(trifluoromethyl)benzaldehyde. A mixture of 5.0 g (26.0 mmol) of 2-fluoro-4-(trifluoromethyl)benzaldehyde, 3.10 g (29.8 mmol) of malonic acid, 0.26 g (3.0 mmol) of piperidine, and 15 ml of pyridine was heated to reflux temperature until the release of carbon dioxide ceased (about 3 hours). After completion of the reaction, it was cooled to room temperature and the reaction mixture was poured into a mixture of 300 g of ice and 100 ml of 6N HCl. The precipitate was separated, washed twice sequentially with water and n-heptane and dried. 5.2 g (85% yield) of 3-(2-fluoro-4-(trifluoromethyl)phenyl)acrylic acid was obtained.1H-NMR (400MHz, D6-DMSO): δ= 6.73 (d, J = 16.1Hz, 1H, 2-H), 7.63 (d, 1H, 5'-H), 7.65 (d, J = 16.1Hz, 1H, 3-H), 7.76 (d , 1H, 3'-H), 8.07 (dd, 1H, 6'-H), 12.8 (br, 1H, COOH). | | References | [1] Patent: US2005/38091, 2005, A1. Location in patent: Page column 6
[2] Patent: US2005/267179, 2005, A1. Location in patent: Page/Page column 15; 16
[3] Patent: WO2008/26149, 2008, A1. Location in patent: Page/Page column 22-23 |
| | 2-FLUORO-4-(TRIFLUOROMETHYL)CINNAMIC ACID Preparation Products And Raw materials |
|