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4-(7-Acet-oxy-6-meth-oxy-4-methyl-2-oxo-2H-chromen-3-yl)phenyl acetate.

ABSTRACT: The title compound, C(21)H(18)O(7), is an important inter-mediate in the synthesis of 3-(4-hydroxy-phen-yl)-4-methyl-6-meth-oxy-7-hydroxy-coumarin, which is a nonsteroidal analogue of 2-methoxy-estradiol (2-ME). The substituent benzene ring is not in the same plane as the coumarin ring system, with a dihedral angle of 66.88?(10)°. There are some weak inter-molecular C-H?O inter-actions. One carbonyl O atom is disordered over two sites, with occupancies of 0.6 and 0.4.

SUBMITTER: Jiang H

PROVIDER: S-EPMC2961866 | biostudies-other | 2008

REPOSITORIES: biostudies-other

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4-(7-Acet-oxy-6-meth-oxy-4-methyl-2-oxo-2H-chromen-3-yl)phenyl acetate.

Jiang Hao H Xia Peng P Zhang Qian Q

Acta crystallographica. Section E, Structure reports online 20080607 Pt 7

The title compound, C(21)H(18)O(7), is an important inter-mediate in the synthesis of 3-(4-hydroxy-phen-yl)-4-methyl-6-meth-oxy-7-hydroxy-coumarin, which is a nonsteroidal analogue of 2-methoxy-estradiol (2-ME). The substituent benzene ring is not in the same plane as the coumarin ring system, with a dihedral angle of 66.88 (10)°. There are some weak inter-molecular C-H⋯O inter-actions. One carbonyl O atom is disordered over two sites, with occupancies of 0.6 and 0.4. ...[more]

PMID: 21202867

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