3-Pyridineacetic acid, hydrochloride (1:1)

white to beige crystalline powder

2-chloro-3-pyridineacetic acid 50 g, Prepared into a 25percent mass fraction of 2-chloro-3-pyridine sodium acetate solution, And 47 g of a 30percent sodium hydroxide solutionSouring (the system may produce some insoluble polymer), Stir evenly after filtration, In the filtrate, 20percent of Raney nickel catalyst was added, Heating up to 90-95 , Through hydrogen reaction, In the atmospheric pressure or 1MPa pressure environment reaction, In the control, After the reaction is completed, After filtering the catalyst, The filtrate was adjusted to pH 4 with hydrochloric acid, Activated charcoal decolorization, desolate, offDry solvent (into a viscous fluid, And there is crystal presence (NaCl)Add 100 grams of anhydrous ethanol, fully dissolved, Filtration, the filtrate is 3-pyridine acetic acid in ethanol solution, The ethanol in the solution was removed (dried, Into a viscous fluid, can be added to the back of the amount of water, Dry the ethanol)Add water 50g, and add hydrochloric acid 35g, After sufficiently salt formation at 50 ° C, The solvent water is then dried (viscous solid)Cooling to room temperature, Plus 50g of absolute ethanol after washing, After filtration, the solid was rinsed with a portion of ethanol, Dry, that was finished3-pyridine acetic acid hydrochloride47.5 g, purity 99.1percent, yield 95.0percent.Was added to the kettle 10L 3-acetyl pyridine (1.2kg, 9.91mol), morpholine (5.0kg, 57.39mol), sulfur was added with stirring (0.35kg, 10.92mol), heated at reflux for 12 hours, evaporated under reduced pressure to make morpholine , was added 36percent hydrochloric acid (3.5kg), refluxed for 6 hours, suction filtered, the filtrate was concentrated under reduced pressure to collect approximately 2.4kg solvent, cooled for 2 hours at 0-5 deg.] C, precipitate crystals. Suction filtration to give white needles I; the mother liquor was concentrated again and added 36percent hydrochloric acid (0.6kg), cooled, and dried to give white needles I, combined, 50 deg.]C under vacuum and dissolved, acicular white crystals were 1.25 kg, yield 72.6percent

3-Pyridylacetic Acid is a metabolite of Nicotine (N412420). 3-Pyridylacetic Acid is an antilipemic.

Molecular Weight:173.60
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:173.0243562
Monoisotopic Mass:173.0243562
Topological Polar Surface Area:50.2
Heavy Atom Count:11
Complexity:125
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes