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| | 6-(TRIFLUOROMETHYL)PYRIDINE-3-CARBOXALDEHYDE Basic information |
| | 6-(TRIFLUOROMETHYL)PYRIDINE-3-CARBOXALDEHYDE Chemical Properties |
| Melting point | 52-56 °C | | Boiling point | 72 °C | | density | 1.369±0.06 g/cm3(Predicted) | | Fp | 93 °C | | storage temp. | 2-8°C | | solubility | soluble in Methanol | | form | Solid | | pka | -1.25±0.22(Predicted) | | color | White to Almost white | | Sensitive | Air Sensitive | | InChI | InChI=1S/C7H4F3NO/c8-7(9,10)6-2-1-5(4-12)3-11-6/h1-4H | | InChIKey | MRPAGRCGPAXOGS-UHFFFAOYSA-N | | SMILES | C1=NC(C(F)(F)F)=CC=C1C=O | | CAS DataBase Reference | 386704-12-7(CAS DataBase Reference) |
| Hazard Codes | Xi,T | | Risk Statements | 36/37/38-43-25 | | Safety Statements | 26-36/37/39-36/37-28 | | RIDADR | UN 2811 6.1/PG 3 | | WGK Germany | 3 | | Hazard Note | Irritant | | HazardClass | 6.1 | | PackingGroup | Ⅲ | | HS Code | 2933399990 | | Storage Class | 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | | Hazard Classifications | Acute Tox. 3 Oral
Eye Irrit. 2
Skin Irrit. 2
Skin Sens. 1
STOT SE 3 |
| | 6-(TRIFLUOROMETHYL)PYRIDINE-3-CARBOXALDEHYDE Usage And Synthesis |
| Uses | 6-(Trifluoromethyl)pyridine-3-carboxaldehyde is a reagent in the preparation of piperidine derivatives as possible Alzheimer’s treatment agents. | | Synthesis | General procedure for the synthesis of 6-(trifluoromethyl)pyridine-3-carboxaldehyde from 6-(trifluoromethyl)-3-pyridine methanol:
Intermediate 174: 6-(Trifluoromethyl)nicotine derivative; 800 mg of 6-(trifluoromethyl)pyridin-3-yl)methanol (Intermediate 173, 4.52 mmol) was dissolved in 50 mL of dichloromethane (DCM) and cooled to 0°C. To this solution was added 2 g of manganese dioxide (MnO2, 23 mmol). The reaction mixture was stirred at room temperature overnight. Upon completion of the reaction, the insoluble material was removed by filtration and the filtrate was concentrated at room temperature to give 750 mg (95% yield) of 6-trifluoromethylpyridine-3-carbaldehyde as a white solid. The product was characterized by 1H-NMR (CDCl3): δ 7.88-7.90 (1H, d), 8.36-8.38 (1H, d), 9.20 (1H, s), 10.22 (1H, s); TLC (DCM/MeOH 10:1) showed Rf = 0.9. | | References | [1] Patent: WO2008/148853, 2008, A1. Location in patent: Page/Page column 182
[2] Patent: US2009/239905, 2009, A1. Location in patent: Page/Page column 14
[3] Patent: WO2007/110667, 2007, A1. Location in patent: Page/Page column 27 |
| | 6-(TRIFLUOROMETHYL)PYRIDINE-3-CARBOXALDEHYDE Preparation Products And Raw materials |
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