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| | 3-(Trifluoromethyl)cinnamic acid Basic information |
| | 3-(Trifluoromethyl)cinnamic acid Chemical Properties |
| Melting point | 135-137 °C(lit.) | | Boiling point | 224°C (rough estimate) | | density | 1.3275 (estimate) | | storage temp. | Sealed in dry,Room Temperature | | solubility | DMSO (Slightly), Methanol (Slightly) | | pka | 4.25±0.10(Predicted) | | form | Solid | | color | White to Off-White | | BRN | 1963372 | | InChI | InChI=1S/C10H7F3O2/c11-10(12,13)8-3-1-2-7(6-8)4-5-9(14)15/h1-6H,(H,14,15) | | InChIKey | KSBWHDDGWSYETA-UHFFFAOYSA-N | | SMILES | C(O)(=O)C=CC1=CC=CC(C(F)(F)F)=C1 | | CAS DataBase Reference | 779-89-5(CAS DataBase Reference) | | EPA Substance Registry System | 3-[3-(Trifluoromethyl)phenyl]acrylic acid (779-89-5) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38-37/38 | | Safety Statements | 26-37/39-37 | | WGK Germany | 3 | | TSCA | TSCA listed | | HazardClass | IRRITANT | | HS Code | 29163990 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 3-(Trifluoromethyl)cinnamic acid Usage And Synthesis |
| Chemical Properties | White Solid | | Uses | Had sedative hypnotic activity in mice, showing potent inhibition of spontaneous motility. | | Uses | 3-(Trifluoromethyl)cinnamic acid is used in the synthesis of cinacalcet. Cinacalcet is a drug for the control and treatment of secondary hyperparathyroidism (in the dialysis population), primary hyperparathyroidism where the patient may not be a candidate for surgical treatment, and for the treatment of calciphylaxis in patients with end-stage renal disease or in patients on dialysis. | | Definition | ChEBI: (E)-3-(trifluoromethyl)cinnamic acid is a member of the class of (trifluoromethyl)benzenes consisting of trans-cinnamic acid having a trifluoromethyl substituent at the meta-position. It is a member of cinnamic acids, a member of styrenes and a member of (trifluoromethyl)benzenes. It is functionally related to a trans-cinnamic acid. | | Synthesis | To a suspension of m-trifluoromethyl-α-bromohydrocinnamic acid, isopropanol (1.42 1) and benzyltriethylammonium chloride (10.85g), aqueous sodium hydroxide (340 ml, 56%) was added slowly. The temperature was raised to 55-60℃, stirred for 7 hours, and isopropanol was removed in vacuo. Water (500ml) was added to the reaction mass, stirred, cooled to 0℃, and acidified with hydrochloric acid (450ml). The solid was filtered, washed with water, and dried in vacuo at 5O℃ to afford 204g of 3-(Trifluoromethyl)cinnamic acid.
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| | 3-(Trifluoromethyl)cinnamic acid Preparation Products And Raw materials |
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