3-(Trifluoromethyl)cinnamic acid
- CAS NO.：779-89-5
- Empirical Formula: C10H7F3O2
- Molecular Weight: 216.16
- MDL number: MFCD00004393
- EINECS: 212-301-6
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-01-13 11:26:19
What is 3-(Trifluoromethyl)cinnamic acid?
Chemical properties
White Solid
The Uses of 3-(Trifluoromethyl)cinnamic acid
Had sedative hypnotic activity in mice, showing potent inhibition of spontaneous motility.
The Uses of 3-(Trifluoromethyl)cinnamic acid
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.
Properties of 3-(Trifluoromethyl)cinnamic acid
| 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) |
| form | Solid |
| pka | 4.25±0.10(Predicted) |
| color | White to Off-White |
| BRN | 1963372 |
| CAS DataBase Reference | 779-89-5(CAS DataBase Reference) |
| EPA Substance Registry System | 3-[3-(Trifluoromethyl)phenyl]acrylic acid (779-89-5) |
Safety information for 3-(Trifluoromethyl)cinnamic acid
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 3-(Trifluoromethyl)cinnamic acid
New Products
DL-beta-(3-Bromophenyl)alanine Tetrabutylammonium perchlorate N,O-Dimethylhydroxylamine hydrochloride (RS)-beta-Amino-beta-(4-bromophenyl)propionic acid 2-Amino-5-bromo-4-(trifluoromethyl)pyridine（RM for Indian lab) N,N CARBONYL DIIMIDAZOLE Levothyroxine Impurity-F Montelukast EP Impurity-D/Montelukast USP Related Compound C Atorvastatin FXA Impurity/Atorvastatin Cyclic 6-Hydroxy Impurity Sodium Salt Isosulfan blue Keto N-Oxide Impurity Ivermectin Impurity F N-Nitroso des Methyl Tramadol/N-Nitroso-N-Desmethyl-Tramadol (R)-BoroLeu-(+)-Pinanediol-CF3COOH 1,4-bis(methylsulfonyl)butane 4-(5-amino-1-methyl-1h-benzoimidazol-2-yl)-butyric acid isopropyl ester. 5-Methyl-1,3-benzenediacetonitrile 4-Fluorothiophenol 1-methyl amino-2,4-dinitro benzene CSA (DL-10-Camphorsulfonic Acid) 2-Hydroxy-4-methylnicotinic acid 3-iodo-1H-pyrazolo[3,4-d]pyrimidin-4-amine (2S)-1-((2S,3S)-3-(2-methylbutyl)-4-oxooxetan-2-yl)pentadecan-2-yl formylleucinate 1-(3,5-dichlorophenyl)-2,2,2-trifluoroethane-1-sulfonyl chloride S-(1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl) ethanethioateRelated products of tetrahydrofuran
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