Abstract
5-Methoxy-4-methyl-2H-benzofuro[3,2-g]benzo-1-pyran-2-one was synthesized and its crystal structure was determined and compared with the optimal conformation arrived at by MM and AM1 theoretical calculations. The latter indicated that the tetracyclic skeleton is planar with total length (C2–C8) 9.23 å, and that the line joining the conters of the terminal-benzene and furan rings makes an angle of 30.5‡ with that joining the centers of the three rings of psoralen. The electronic properties of the reactive double bond in the pyran ring of1 are similar to those of simpler psoralens.
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Miranda, R., Santana, L., Teijeira, M. et al. Synthesis and structure of 5-methoxy-4-methylbenzopsoralen. Struct Chem 8, 453–457 (1997). https://doi.org/10.1007/BF02311704
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DOI: https://doi.org/10.1007/BF02311704