5-Formylsalicylic acid

light beige fine crystalline powder

5-formylsalicylic acid is a monohydroxybenzoic acid in which a benzoic acid nucleus is substituted at positions 2 and 5 by a formyl group and an hydroxy group respectively. It is a member of benzaldehydes, a monohydroxybenzoic acid and a member of phenols. It derives from a salicylic acid.

General procedure: a mixture of substrate 1a(1 mmol), cobalt salt (nGeneral procedure: To a solution of substrates (1a–1q, 0.15 mmol) in trifluoroacetic acid (5 ml), hexamethylenetetramine (0.3 mmol) and cuprous oxide (0.15 mmol) were added. The reaction mixture was refluxed for about 5 h, cooled to room temperature, followed by addition of hydrochloric acid (3 N, 5 ml). After stirring for another 1 h, the solution was concentrated under reduced pressure. The products were purified by silica gel column chromatography (200–300 mesh).To a solution of 2-hydroxybenzoic acid (2.0 g, 14.5 mmol) in water, hexamethylen5 etetramine (4.05 g, 28.9 mmol) was added and refluxed at 10000 for 16 h. Aftercooling, the reaction mixture was acidified with 1 N HCI (pH=3) and extracted with ethyl acetate, washed with water and dried. The product was obtained by concentrating under vacuo to yield the title compound (2.2 g, ) as a yellow solid.LCMS: (M-H) = 165.1To a solution of 2-hydroxybenzoic acid (2.0 g, 14.5 mmol) in water hexamethylenetetramine (4.05 g, 28.9 mmol) was added and refluxed at 100°C for16 h. After cooling, the reaction mixture was acidified with iN HCI (PH=3) and extracted with ethyl acetate, washed with water and dried. The product was obtained by concentrating under vacuo to yield the title compound (2.2 g, ) as a yellow solid.LOMS: (M-H) = 165.1

Synthetic Polymer MALDI Matrix Compounds

Molecular Weight:166.13
XLogP3:2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:166.02660867
Monoisotopic Mass:166.02660867
Topological Polar Surface Area:74.6
Heavy Atom Count:12
Complexity:190
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes