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1,3-Cyclohexanedione

1,3-Cyclohexanedione is an organic compound with the formula (CH<sub>2</sub>)<sub>4</sub>(CO)<sub>2</sub>. It is one of three isomeric cyclohexanediones. It is a colorless compound that occurs naturally. It is the substrate for cyclohexanedione hydrolase. The compound exists mainly as the enol tautomer.

Synthesis, structure, and reactivity

1,3-Cyclohexanedione is produced by semi-hydrogenation of resorcinol:

C<sub>6</sub>H<sub>4</sub>(OH)<sub>2</sub> + H<sub>2</sub> → C<sub>6</sub>H<sub>8</sub>O<sub>2</sub>

1,3-Cyclohexanedione exists in solution predominantly as the enol tautomer.

It reacts under acid catalysis with alcohols to 3-alkoxyenones. Its pK<sub>a</sub> is 5.26. Treatment of the sodium salt of the enolate with methyl iodide gives 2-methyl-1,3-cyclohexanedione, which also exists predominantly as the enol.

Derivatives

Dimedone (5,5-dimethyl-1,3-cyclohexanedione) is a well established reagent.

Several herbicides against grasses are formal derivatives of 1,3-cyclohexanedione. Examples of commercial products include cycloxydim, clethodim, tralkoxydim, butroxydim, sethoxydim, profoxydim, and mesotrione.

1,3-Cyclohexanedione is also used in the manufacture of Ondansetron.

References