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2-(4-Methoxyphenoxy)-6-methyl-3-oxo-3,6-dihydro-2H-pyran-4-yl benzoate.

ABSTRACT: The title compound, C(20)H(18)O(6), has been synthesized from 4-methoxy-phenyl 3-O-benzo-yloxy-?-l-rhamnopyran-oside by oxidation on treatment with pyridinium dichromate in the presence of acetic anhydride. In the mol-ecule, the pyran ring adopts an envelope conformation with the O atom at the flap position. Weak inter-molecular C-H?O hydrogen bonding is present in the crystal structure.

SUBMITTER: Yan SQ

PROVIDER: S-EPMC2968613 | biostudies-other | 2009

REPOSITORIES: biostudies-other

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2-(4-Methoxyphenoxy)-6-methyl-3-oxo-3,6-dihydro-2H-pyran-4-yl benzoate.

Yan Shi-Qiang SQ Liang Xiao-Mei XM Zhang Jian-Jun JJ Wang Dao-Quan DQ

Acta crystallographica. Section E, Structure reports online 20090225 Pt 3

The title compound, C(20)H(18)O(6), has been synthesized from 4-methoxy-phenyl 3-O-benzo-yloxy-α-l-rhamnopyran-oside by oxidation on treatment with pyridinium dichromate in the presence of acetic anhydride. In the mol-ecule, the pyran ring adopts an envelope conformation with the O atom at the flap position. Weak inter-molecular C-H⋯O hydrogen bonding is present in the crystal structure. ...[more]

PMID: 21582241

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4-Hy-droxy-3-[(4-hy-droxy-6-methyl-2-oxo-3,6-dihydro-2H-pyran-3-yl)(3-thien-yl)meth-yl]-6-methyl-3,6-dihydro-2H-pyran-2-one.

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Project description:In the title quinazolin-4-one derivative, C(23)H(18)N(2)O(3), both the benzoate [dihedral angle = 79.99?(6)°] and the 2-tolyl [89.02?(7)°] groups are close to orthogonal to the central fused ring system. Both aryl groups are orientated towards the quinazolin-4-one-bound methyl group. In the crystal, mol-ecules are connected into a three-dimensional architecture by C-H?O, C-H?N and C-H?? inter-actions.

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Project description:In the title mol-ecule, C(20)H(18)O(4), the three methyl groups of the tert-butyl substituent show rotational disorder. Each methyl group is split over three positions, with refined site-occupation factors of 0.711?(4), 0.146?(3) and 0.144?(4). The benzene ring of the benzoate group is oriented at a dihedral angle of 60.70?(7)° with respect to the planar chromene ring [maximum deviation = 0.046?(2)?Å]. The crystal structure features centrosymmetric R(2) (2)(8) dimers formed via C-H?O inter-actions, and these dimeric aggregates are connected by C-H?? inter-actions.

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