| Identification | More | [Name]
6-(TRIFLUOROMETHYL)PYRIDINE-3-CARBOXALDEHYDE | [CAS]
386704-12-7 | [Synonyms]
6-(TRIFLUOROMETHYL)NICOTINALDEHYDE
6-(TRIFLUOROMETHYL)PYRIDINE-3-CARBOXALDEHYDE
2-(Trifluoromethyl)pyridine-5-carboxaldehyde
2-(Trifluoromethyl)pyridine-5-carboxaldehyde 97%
2-(Trifluoromethyl)pyridine-5-carboxaldehyde97%
6-(Trifluoromethyl)nicotinaldehyde 97%
5-Formyl-2-(trifluoromethyl)pyridine | [EINECS(EC#)]
627-410-8 | [Molecular Formula]
C7H4F3NO | [MDL Number]
MFCD01862647 | [Molecular Weight]
175.11 | [MOL File]
386704-12-7.mol |
| Chemical Properties | Back Directory | [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) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,T | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R43:May cause sensitization by skin contact.
R25:Toxic if swallowed. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S36/37:Wear suitable protective clothing and gloves .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) . | [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 |
| Hazard Information | Back Directory | [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 |
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