2,6-Dichloro-5-fluoronicotinic acid

Bezeichnung:2,6-Dichloro-5-fluoronicotinic acid

CAS-Nr82671-06-5

Englisch Name:2,6-Dichloro-5-fluoronicotinic acid

CBNumberCB3189052

SummenformelC6H2Cl2FNO2

Molgewicht209.99

MOL-Datei82671-06-5.mol

2,6-Dichloro-5-fluoronicotinic acid physikalisch-chemischer Eigenschaften

Schmelzpunkt	152-155 °C (lit.)
Siedepunkt	247°C (rough estimate)
Dichte	1.6207 (estimate)
storage temp.	Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand	powder to crystal
pka	1.38±0.32(Predicted)
Farbe	White to Yellow to Orange
BRN	4311035
InChI	InChI=1S/C6H2Cl2FNO2/c7-4-2(6(11)12)1-3(9)5(8)10-4/h1H,(H,11,12)
InChIKey	LTDGKGCHRNNCAC-UHFFFAOYSA-N
SMILES	C1(Cl)=NC(Cl)=C(F)C=C1C(O)=O
CAS Datenbank	82671-06-5(CAS DataBase Reference)

Sicherheit

Kennzeichnung gefährlicher	Xi
R-Sätze:	36/37/38
S-Sätze:	26-37/39
WGK Germany	1
HazardClass	IRRITANT
HS Code	29333990
Speicherklasse	11 - Combustible Solids
Hazard Classifications	Eye Irrit. 2 Skin Irrit. 2 STOT SE 3

Gefahreninformationscode (GHS)

2,6-Dichloro-5-fluoronicotinic 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.
S37/39:Bei der Arbeit geeignete Schutzhandschuhe und Schutzbrille/Gesichtsschutz tragen.
Chemische Eigenschaften
light yellow to beige fine crystalline powder
Verwenden
2,6-Dichloro-5-fluoropyridine-3-carboxylic acid (2,6-Dichloro-5-fluoro-3-pyridinecarboxylic acid) may be used in the preparation of self assembled monolayer (SAMs) compounds.
Verwenden
2,6-Dichloro-5-fluoronicotinic Acid is a useful reagent for the modulation of protein-protein interactions to learn about the mechanisms in amyloid assembly.
Allgemeine Beschreibung
2,6-Dichloro-5-fluoropyridine-3-carboxylic acid is a halogenated heterocyclic compound. Its density has been reported to be 1.6207g/cm³ at 25°C.
Synthese

82671-03-2

82671-06-5

The general procedure for the synthesis of 2,6-dichloro-5-fluoropyridine-3-carboxylic acid from ethyl 2,6-dichloro-5-fluoropyridine-3-carboxylate is as follows: Example 1: 1. ethyl 2,6-dichloro-5-fluoropyridine-3-carboxylate (20 g, 84 mmol) was dissolved in a mixture of 40 mL of trifluoroacetic acid and 40 mL of 7.5N hydrochloric acid. 2. The mixture was heated to reflux and kept reacting for 24 hours. 3. Upon completion of the reaction, the solution was cooled and the trifluoroacetic acid was removed by evaporation under reduced pressure. 4. After cooling to room temperature, 100 mL of water was added, at which point a white precipitate formed in the solution. 5. The precipitate was collected by filtration, washed with hexane, and dried to give 12.91 g (73.2% yield) of 2,6-dichloro-5-fluoropyridine-3-carboxylic acid, with a melting point of 153-154 °C. The reaction was completed with the addition of 100 mL of water.
Einzelnachweise
[1] Journal of Medicinal Chemistry, 1986, vol. 29, # 11, p. 2364 - 2369
[2] Patent: EP302372, 1989, A1
[3] Patent: US2014/73631, 2014, A1. Location in patent: Paragraph 0128; 0129

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