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4-(4-Chloro-phen-yl)-7,7-dimethyl-7,8-dihydro-4H-1-benzopyran-2,5(3H,6H)-dione.

ABSTRACT: The title compound, C(17)H(17)ClO(3), has been synthesized by the reaction of p-chloro-benzaldehyde, isopropyl-idene malonate and 5,5-dimethyl-cyclo-hexane-1,3-dione with triethyl-benzyl-ammonium chloride in water as a green solvent. The six membered pyran-one ring of the hexa-hydro-coumarin system has a screw-boat conformation while the dimethyl-cyclo-hexenone system has a distorted envelope conformation. The dihedral angle between the least-squares planes of the coumarin ring system and the benzene ring is 85.64?(9)°.

SUBMITTER: Shi H

PROVIDER: S-EPMC2980257 | biostudies-literature | 2009 Dec

REPOSITORIES: biostudies-literature

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4-(4-Chloro-phen-yl)-7,7-dimethyl-7,8-dihydro-4H-1-benzopyran-2,5(3H,6H)-dione.

Shi Hao H

Acta crystallographica. Section E, Structure reports online 20091204 Pt 1

The title compound, C(17)H(17)ClO(3), has been synthesized by the reaction of p-chloro-benzaldehyde, isopropyl-idene malonate and 5,5-dimethyl-cyclo-hexane-1,3-dione with triethyl-benzyl-ammonium chloride in water as a green solvent. The six membered pyran-one ring of the hexa-hydro-coumarin system has a screw-boat conformation while the dimethyl-cyclo-hexenone system has a distorted envelope conformation. The dihedral angle between the least-squares planes of the coumarin ring system and the be ...[more]

PMID: 21580158

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