ChemicalBook--->CAS DataBase List--->304693-66-1

304693-66-1

304693-66-1 Structure

304693-66-1 Structure
IdentificationBack Directory
[Name]

2-TRIFLUOROMETHYL-PYRIMIDINE-5-CARBALDEHYDE
[CAS]

304693-66-1
[Synonyms]

2-Trifluoromethyl-5-formylpyrimidine
2-(trifluromethyl)pyridine-5-carbaldehyde
2-TRIFLUOROMETHYL-PYRIMIDINE-5-CARBALDEHYDE
2-Trifluoromethyl-5-pyrimidinecarboxaldehyde
2-(Trifluoromethyl)pyrimidine-5-carbaldehydec
5-Pyrimidinecarboxaldehyde,2-(trifluoromethyl)-
2-TRIFLUOROMETHYL-PYRIMIDINE-5-CARBALDEHYDE ISO 9001:2015 REACH
[Molecular Formula]

C6H3F3N2O
[MDL Number]

MFCD08752498
[MOL File]

304693-66-1.mol
[Molecular Weight]

176.1
Chemical PropertiesBack Directory
[Boiling point ]

153℃
[density ]

1.454
[Fp ]

47℃
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[pka]

-3.47±0.22(Predicted)
[Appearance]

White to light yellow Solid
[InChI]

InChI=1S/C6H3F3N2O/c7-6(8,9)5-10-1-4(3-12)2-11-5/h1-3H
[InChIKey]

GAUDQBASERVUGM-UHFFFAOYSA-N
[SMILES]

C1(C(F)(F)F)=NC=C(C=O)C=N1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
Raw materials And Preparation ProductsBack Directory
Spectrum DetailBack Directory
[Spectrum Detail]

2-TRIFLUOROMETHYL-PYRIMIDINE-5-CARBALDEHYDE(304693-66-1)1HNMR
Hazard InformationBack Directory
[Synthesis]

ETHYL 2-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLATE

304693-64-9

2-TRIFLUOROMETHYL-PYRIMIDINE-5-CARBALDEHYDE

304693-66-1

Step B: Synthesis of 2-(trifluoromethyl)pyrimidine-5-carbaldehyde To a solution of ethyl 2-(trifluoromethyl)pyrimidine-5-carboxylate (25.5 g, 116.0 mmol) in dichloromethane (580 mL) was slowly added diisobutylaluminum hydride (1.0 M, 130.0 mL, 130.0 mmol) at -78 °C. The reaction mixture was kept stirred at -78 °C for 2 hours. Subsequently, the reaction was quenched by slow addition of hydrochloric acid (2.0 M). The mixture was gradually warmed up to ambient temperature. The mixture was extracted with ether (3 times). The organic phases were combined, dried over anhydrous sodium sulfate, filtered and concentrated to give the target product 2-(trifluoromethyl)pyrimidine-5-carbaldehyde (28.2 g).

[References]

[1] Patent: US2004/167142, 2004, A1. Location in patent: Page/Page column 23;24
[2] Patent: TW2016/5858, 2016, A. Location in patent: Page/Page column 133; 134
[3] Patent: US2014/107335, 2014, A1. Location in patent: Paragraph 0091; 0092
[4] Bioorganic and Medicinal Chemistry Letters, 2002, vol. 12, # 1, p. 51 - 55
[5] Patent: WO2010/111058, 2010, A1. Location in patent: Page/Page column 69
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