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4-(Trifluoromethyl)nicotinic acid

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4-(Trifluoromethyl)nicotinic acid Basic information

Product Name:
4-(Trifluoromethyl)nicotinic acid
Synonyms:
  • 4-(Trifluoromethyl)pyridine-3-carboxylic acid, 3-Carboxy-4-(trifluoromethyl)pyridine
  • FlonicaMide Metabolite (TFNA type, 4-TriuoroMethyl nicotinic acid)
  • TFNA (flonicamid metabolite)
  • 4-(TrifluoroMethyl)-3-Pyridinecarboxylic Acid
  • 3-Pyridinecarboxylic acid, 4-(trifluoromethyl)-
  • 4-(Trifluoromethyl)pyridine-3-carboxylic acid 98%
  • 4-(Trifluoromethyl)pyridine-3-carboxylic acid, >=98%
  • 4-(TRIFLUOROMETHYL)NICOTINIC ACID
CAS:
158063-66-2
MF:
C7H4F3NO2
MW:
191.11
EINECS:
623-902-1
Product Categories:
  • Fluorine series
  • Building Blocks
  • Carboxylic Acids
  • C6 to C7
  • Chemical Synthesis
  • Heterocyclic Building Blocks
  • Nitrogen cyclic compounds
  • Pyridine Series
  • Pyridines
  • Carboxylic Acids
Mol File:
158063-66-2.mol
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4-(Trifluoromethyl)nicotinic acid Chemical Properties

Melting point:
146-148 °C(lit.)
Boiling point:
290.4±40.0 °C(Predicted)
Density 
1.484±0.06 g/cm3(Predicted)
storage temp. 
Inert atmosphere,Room Temperature
solubility 
DMSO (Slightly), Methanol (Slightly)
pka
2.50±0.36(Predicted)
form 
Solid
color 
Pale Yellow to Dark Yellow
InChIKey
LMRJHNFECNKDKH-UHFFFAOYSA-N
CAS DataBase Reference
158063-66-2(CAS DataBase Reference)
EPA Substance Registry System
3-Pyridinecarboxylic acid, 4-(trifluoromethyl)- (158063-66-2)
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Safety Information

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
26-36-37/39
WGK Germany 
3
HazardClass 
IRRITANT

MSDS

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4-(Trifluoromethyl)nicotinic acid Usage And Synthesis

Uses

4-(Trifluoromethyl)-3-Pyridinecarboxylic Acid is a useful synthetic intermediate. It can be used to prepare pyridine carboxamides as palm site inhibitors of HCV NS5B polymerase. It can also be used to synthesize pyrazolylcarboxanilides as Ca2+ release-activated Ca2+ (CRAC) channel inhibitors.

Application

4-(Trifluoromethyl)nicotinic acid is a trifluoromethyl-containing aromatic compound with unique biological activity, which can be used as a precursor material for the preparation of other pesticides or medicines. 4-(Trifluoromethyl)nicotinic acid is a key intermediate of flonicamid, a highly effective insecticide.

Preparation

synthesis of 4-(Trifluoromethyl)nicotinic acid: add 5g (0.0192mol) Methyl 2,6-dichloro-4-(trifluoromethyl)nicotinate in turn to a 100mL three-necked flask, 0.3g of 10% Pd/C (water content 63.45%) ), 5.25g (0.0389mol) CH3COONa 3H2O and 20mL ethanol, after stirring and dissolving, nitrogen was replaced 3 times to discharge air, after hydrogen replacement 2 times, the reaction was stirred at room temperature for 8h under a hydrogen atmosphere until no hydrogen was absorbed to complete the reaction, and suction filtration was recovered. Palladium carbon, washed the filter cake 3 times with ethanol, the filtrate was rotary evaporated to remove the solvent, added 20 mL of water to the obtained solid, fully shaken to dissolve it, added hydrochloric acid to adjust pH=2~3, extracted 3 times with ethyl acetate, The organic phases were combined and washed three times with saturated brine, dried over anhydrous sodium sulfate, and rotary-evaporated to obtain 3.3 g of a pale yellow solid with a yield of 90.4%.

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