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1,2-Dihydr-oxy-2-(3-methyl-but-2-en-yl)-3-oxo-2,3-dihydro-1H-indene-1-carboxylic acid monohydrate.

ABSTRACT: The title compound, C(15)H(16)O(5)·H(2)O, is an inter-mediate of the Hooker oxidation reaction, used for the synthesis of 2-hydr-oxy-3-(2-methyl-prop-1-en-yl)naphthalene-1,4-dione (nor-lapachol). The packing in the crystal structure is arranged by an O-H⋯O hydrogen-bonded network along the [100] and [010] directions. Each organic mol-ecule is linked to four other mol-ecules via the hydr-oxy groups. The water solvent mol-ecule is connected to carboxylic acid groups by three hydrogen bonds.

SUBMITTER: Franscisco AI 

PROVIDER: S-EPMC2979928 | biostudies-literature | 2010 Jan

REPOSITORIES: biostudies-literature

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1,2-Dihydr-oxy-2-(3-methyl-but-2-en-yl)-3-oxo-2,3-dihydro-1H-indene-1-carboxylic acid monohydrate.

Franscisco Acácio Ivo AI   de Q Silveira Gleiciani G   Resende Jackson A L C JA   Balliano Tatiane L TL   Malta Valéria R S VR   Pinto Antonio Ventura AV  

Acta crystallographica. Section E, Structure reports online 20100113 Pt 2

The title compound, C(15)H(16)O(5)·H(2)O, is an inter-mediate of the Hooker oxidation reaction, used for the synthesis of 2-hydr-oxy-3-(2-methyl-prop-1-en-yl)naphthalene-1,4-dione (nor-lapachol). The packing in the crystal structure is arranged by an O-H⋯O hydrogen-bonded network along the [100] and [010] directions. Each organic mol-ecule is linked to four other mol-ecules via the hydr-oxy groups. The water solvent mol-ecule is connected to carboxylic acid groups by three hydrogen bonds. ...[more]

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