4-Chloro-7-quinolinecarboxylic acid

10.0 g (43.2 mmol) 4-Chlor-7-trifluormethyl-chinolin werden in 200 ml konz. Schwefelsaeure 2 Stunden bei 550 Watt in der Mikrowelle bestrahlt. Die Reaktions- loesung wird auf Eiswasser gegossen und mit Natronlauge auf pH 3-4 gestellt. Das ausgefallene Produkt wird abgesaugt, mit Wasser gewaschen und getrocknet. Ausbeute : 8. 9 g (99 percent der Theorie) Rf-Wert : 0.45 (Kieselgel ; TOLUOL/ETHANOL = 4 : 1) C10H6ClNO2 (207.62) Massenspektrum : (M+H)+ = 208/10 (Chlorisotope)A mixture of 4-chloro-7-(trifluoromethyl)quinoline (44.0 g, 189 mmol) and sulfuric acid (440 mL) was allowed to stir at 200°C for 4 h. The reaction mixture was cooled to room temperature, then poured into ice water (2000 mL). The pH was adjusted to 3 by addition of IN NaOH. The resulting precipitate was collected by filtration and washed with water (200 mL x 2), and dried under high vacuum to give 4-chloroquinoline-7-carboxylic acid (30.0 g, 77percent) as a beige solid. LC-MS: (FA) ES+ 208.0;

Molecular Weight:207.61
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:207.0087061
Monoisotopic Mass:207.0087061
Topological Polar Surface Area:50.2
Heavy Atom Count:14
Complexity:234
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes