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7,7-Dimethyl-4a-(3-methyl-2-buten-yl)-2-oxo-4a,5,6,7-tetra-hydro-2H-chromen-4-yl benzoate.

ABSTRACT: An intra-molecular Claisen-like cyclization of ethyl 2-acet-oxy-4,4-dimethyl-1-(3-methyl-but-2-en-yl)cyclo-hex-2-enecarboxylate followed by dialkyl-ation yielded the bicyclic title compound, C(23)H(26)O(4). In both of the fused six-membered rings exist fragments of four atoms which are planar, whereas the remaining two atoms deviate by up to 0.682?(3)?Å on one side of the plane of the ring containing an O atom and by up to 0.415?(3)?Å on opposite sides of the other ring. The dihedral anglebetween the planar fragments of the six-membered rings is 41.76?(10)°

SUBMITTER: Mows K

PROVIDER: S-EPMC2970087 | biostudies-other | 2009

REPOSITORIES: biostudies-other

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7,7-Dimethyl-4a-(3-methyl-2-buten-yl)-2-oxo-4a,5,6,7-tetra-hydro-2H-chromen-4-yl benzoate.

Möws Katrin K Schürmann Markus M Preut Hans H Plietker Bernd B

Acta crystallographica. Section E, Structure reports online 20090812 Pt 9

An intra-molecular Claisen-like cyclization of ethyl 2-acet-oxy-4,4-dimethyl-1-(3-methyl-but-2-en-yl)cyclo-hex-2-enecarboxylate followed by dialkyl-ation yielded the bicyclic title compound, C(23)H(26)O(4). In both of the fused six-membered rings exist fragments of four atoms which are planar, whereas the remaining two atoms deviate by up to 0.682 (3) Å on one side of the plane of the ring containing an O atom and by up to 0.415 (3) Å on opposite sides of the other ring. The dihedral anglebetwee ...[more]

PMID: 21577549

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