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| | 3-(3-(Trifluoromethyl)phenyl)propanal Basic information | | Uses |
| | 3-(3-(Trifluoromethyl)phenyl)propanal Chemical Properties |
| Boiling point | 207.4±35.0 °C(Predicted) | | density | 1.192±0.06 g/cm3(Predicted) | | storage temp. | Inert atmosphere,Store in freezer, under -20°C | | solubility | Soluble in Chloroform, Dichloromethane, Ethyl acetate | | form | Oil | | color | Clear colorless to pale yellow oily liquid | | Stability: | Not very stable, new spot on TLC if kept at r.t. o/n. | | InChI | InChI=1S/C10H9F3O/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1,3,5-7H,2,4H2 | | InChIKey | APCCHYPQHODSBD-UHFFFAOYSA-N | | SMILES | C1(CCC=O)=CC=CC(C(F)(F)F)=C1 |
| | 3-(3-(Trifluoromethyl)phenyl)propanal Usage And Synthesis |
| Uses | 3-(Trifluoromethyl)benzenepropanal is a compound useful in organic synthesis. | | Description | 3-(3-(Trifluoromethyl)phenyl)propanal is a bis-functional compound containing trifluoromethyl and aldehyde groups, which also serves as a key intermediate in the synthesis of Cinacalcet Hydrochloride. In addition, 3-(3-(Trifluoromethyl)phenyl)propanal can be used in the preparation of fluorinated fine chemicals and polymeric materials. | | Chemical Properties | Colourless Oil | | Uses | 3-(Trifluoromethyl)benzenepropanal (cas# 21172-41-8) is a compound useful in organic synthesis. | | Synthesis | A solution of 3-(Trifluoromethyl) benzene propanol (1.0 g, 4.90 mmol) in dichloromethane (20 ml) is cooled in a water/ice bath, treated in succession with DMSO (770 mg, 9.80 mmol) and P2O5 (1.39 g, 9.80 mmol) and left under stirring for 30 minutes, while temperature raises to 20°C. The reaction mixture is then cooled in water/ice bath and triethylamine (2.4 ml, 17.15 mmol). The resulting solution is kept under stirring while the temperature raises to 20°C. After one hour, the mixture is treated with 5 per cent HCl, the phases are separated, and the organic one is further washed with 5 per cent HCl. The organic phase is then washed with brine, dried over Na2SO4, filtered and concentrated under reduced pressure to afford 0.99 g of the aldehyde of 3-(3-(Trifluoromethyl)phenyl)propanal in quantitative yield. | | References | [1] Patent: EP2327684, 2011, A1. Location in patent: Page/Page column 6
[2] Patent: US2011/124917, 2011, A1. Location in patent: Page/Page column 3-4
[3] Journal of the Indian Chemical Society, 2013, vol. 90, # 8, p. 1259 - 1261
[4] Patent: WO2014/16847, 2014, A1. Location in patent: Page/Page column 6-7
[5] Tetrahedron Letters, 2004, vol. 45, # 45, p. 8355 - 8358 |
| | 3-(3-(Trifluoromethyl)phenyl)propanal Preparation Products And Raw materials |
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