2,8-BIS(TRIFLUOROMETHYL)-4-CHLOROQUINOLINE

Bezeichnung:2,8-BIS(TRIFLUOROMETHYL)-4-CHLOROQUINOLINE

CAS-Nr83012-13-9

Englisch Name:2,8-BIS(TRIFLUOROMETHYL)-4-CHLOROQUINOLINE

CBNumberCB0301493

SummenformelC11H4ClF6N

Molgewicht299.6

MOL-Datei83012-13-9.mol

2,8-BIS(TRIFLUOROMETHYL)-4-CHLOROQUINOLINE physikalisch-chemischer Eigenschaften

Schmelzpunkt	46-48 °C (lit.)
Siedepunkt	148-152 °C(Press: 18 Torr)
Dichte	1.5242 (estimate)
Flammpunkt	>230 °F
storage temp.	under inert gas (nitrogen or Argon) at 2-8°C
pka	-3.49±0.50(Predicted)
Aggregatzustand	Crystalline Powder
Farbe	Beige
InChI	1S/C11H4ClF6N/c12-7-4-8(11(16,17)18)19-9-5(7)2-1-3-6(9)10(13,14)15/h1-4H
InChIKey	ZSQOESPYYNJBCZ-UHFFFAOYSA-N
SMILES	FC(F)(F)c1cc(Cl)c2cccc(c2n1)C(F)(F)F
CAS Datenbank	83012-13-9(CAS DataBase Reference)

Sicherheit

Kennzeichnung gefährlicher	Xi
R-Sätze:	36/37/38
S-Sätze:	26-37/39
WGK Germany	3
HazardClass	IRRITANT
HS Code	29334900
Speicherklasse	11 - Combustible Solids
Hazard Classifications	Eye Irrit. 2 Skin Irrit. 2 STOT SE 3

Gefahreninformationscode (GHS)

2,8-BIS(TRIFLUOROMETHYL)-4-CHLOROQUINOLINE 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
beige crystalline powder
Verwenden
4-Chloro-2,8-bis(trifluoromethyl)quinolone is the intermediate formed during the synthesis of quinoline derivatives.
Allgemeine Beschreibung
4-Chloro-2,8-bis(trifluoromethyl)quinolone is the intermediate formed during the synthesis of quinoline derivatives.
Synthese

35853-41-9

83012-13-9

General procedure for the synthesis of 4-chloro-2,8-bis(trifluoromethyl)quinoline from 2,8-bis(trifluoromethyl)-4-hydroxyquinoline: 2,8-bis(trifluoromethyl)quinolin-4-ol (0.25 g, 0.89 mmol) was dissolved in phosphorus trichloride (5 mL) and the reaction was carried out at reflux for 5 h at 80 °C under nitrogen protection. Upon completion of the reaction, the reaction mixture was quenched with 30 mL of ice water and extracted with dichloromethane (2 x 20 mL). The organic phases were combined, dried with anhydrous magnesium sulfate, filtered and concentrated under reduced pressure to give a light yellow solid product (0.13 g, 50% yield), which could be used in subsequent reactions without further purification.
Einzelnachweise
[1] Tetrahedron, 1991, vol. 47, # 36, p. 7609 - 7614
[2] European Journal of Medicinal Chemistry, 2010, vol. 45, # 8, p. 3374 - 3383
[3] Monatshefte fur Chemie, 2008, vol. 139, # 2, p. 179 - 181
[4] Bioorganic and Medicinal Chemistry Letters, 2014, vol. 24, # 23, p. 5466 - 5469
[5] Patent: US4429130, 1984, A

2,8-BIS(TRIFLUOROMETHYL)-4-CHLOROQUINOLINE Upstream-Materialien And Downstream Produkte

2,8-BIS(TRIFLUOROMETHYL)-4-CHLOROQUINOLINE Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

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