4-(Trifluoromethyl)nicotinic acid

Bezeichnung:4-(Trifluoromethyl)nicotinic acid

CAS-Nr158063-66-2

Englisch Name:4-(Trifluoromethyl)nicotinic acid

CBNumberCB0722311

SummenformelC7H4F3NO2

Molgewicht191.11

MOL-Datei158063-66-2.mol

4-(Trifluoromethyl)nicotinic acid physikalisch-chemischer Eigenschaften

Schmelzpunkt	146-148 °C(lit.)
Siedepunkt	290.4±40.0 °C(Predicted)
Dichte	1.484±0.06 g/cm3(Predicted)
storage temp.	Inert atmosphere,Room Temperature
Löslichkeit	DMSO (Slightly), Methanol (Slightly)
Aggregatzustand	Solid
pka	2.50±0.36(Predicted)
Farbe	Pale Yellow to Dark Yellow
InChIKey	LMRJHNFECNKDKH-UHFFFAOYSA-N
CAS Datenbank	158063-66-2(CAS DataBase Reference)
EPA chemische Informationen	3-Pyridinecarboxylic acid, 4-(trifluoromethyl)- (158063-66-2)

Sicherheit

Kennzeichnung gefährlicher	Xi
R-Sätze:	36/37/38
S-Sätze:	26-36-37/39
WGK Germany	3
HazardClass	IRRITANT
HS Code	2933399990

Gefahreninformationscode (GHS)

4-(Trifluoromethyl)nicotinic acid Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
S-Sätze Betriebsanweisung:
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S36:DE: Bei der Arbeit geeignete Schutzkleidung tragen.
S37/39:Bei der Arbeit geeignete Schutzhandschuhe und Schutzbrille/Gesichtsschutz tragen.
Verwenden
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.
synthetische
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%.
Definition
ChEBI: 4-(trifluoromethyl)nicotinic acid is a member of pyridines and an aromatic carboxylic acid.

4-(Trifluoromethyl)nicotinic acid Upstream-Materialien And Downstream Produkte

4-(Trifluoromethyl)nicotinic acid Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

158063-66-2, 4-(Trifluoromethyl)nicotinic acid Verwandte Suche:

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