|
|
| | 3-[4-(Trifluoromethoxy)phenyl]acrylic acid Basic information |
| | 3-[4-(Trifluoromethoxy)phenyl]acrylic acid Chemical Properties |
| Melting point | 178 °C | | Boiling point | 296.6±35.0 °C(Predicted) | | density | 1.403±0.06 g/cm3(Predicted) | | storage temp. | Sealed in dry,Room Temperature | | form | solid | | pka | 4.29±0.10(Predicted) | | color | beige | | InChI | InChI=1S/C10H7F3O3/c11-10(12,13)16-8-4-1-7(2-5-8)3-6-9(14)15/h1-6H,(H,14,15) | | InChIKey | RNYVTJANWYBGPW-UHFFFAOYSA-N | | SMILES | C(O)(=O)C=CC1=CC=C(OC(F)(F)F)C=C1 | | CAS DataBase Reference | 783-13-1(CAS DataBase Reference) |
| | 3-[4-(Trifluoromethoxy)phenyl]acrylic acid Usage And Synthesis |
| Synthesis | GENERAL STEPS: A mixture of 5.00 g (3.80 mL, 26.3 mmol) of 4-trifluoromethoxybenzaldehyde, 3.10 g (30.0 mmol) of malonic acid, 0.26 g (3.0 mmol) of piperidine, and 15.0 mL of pyridine was heated to reflux until carbon dioxide gas ceased to be produced (approximately 3 hours). Upon completion of the reaction, the mixture was cooled to room temperature and subsequently poured into a mixture consisting of 50 g of ice and 15 mL of 6N HCl. The precipitated solid was separated by filtration, washed with water and dried to give 5.20 g (85% yield) of 3-(4-trifluoromethoxyphenyl)acrylic acid. The product was characterized by 1H-NMR (400 MHz, D6-DMSO): δ = 6.57 (d, 1H, 2-H), 7.40 (d, 2H, 3'-/5'-H), 7.62 (d, 1H, 3-H), 7.84 (d, 2H, 2'-/6'-H), 12.5 (br, 1H, COOH). | | References | [1] Patent: WO2004/85434, 2004, A1. Location in patent: Page 15
[2] Patent: US2005/209290, 2005, A1. Location in patent: Page/Page column 11
[3] Patent: US2005/267179, 2005, A1. Location in patent: Page/Page column 12
[4] Patent: US2007/259936, 2007, A1. Location in patent: Page/Page column 162 |
| | 3-[4-(Trifluoromethoxy)phenyl]acrylic acid Preparation Products And Raw materials |
|