@article{744e59109fdc40e9a13a7b5a00091c68,
title = "Stereoselective synthesis of substituted tetrahydrofurans - identification and analysis by proton NMR and MNDO, MM2 calculations",
abstract = "Methyl acetoacetate and terminal olefins react in the presence of cobalt(II) acetate and oxygen to give 5-alkyl-2-hydroxy-2-methyl-3-methoxycarbonyl tetrahydrofurans in a highly stereoselective manner. Proton NMR, semiempirical MNDO and empirical MM2 methods are used to identify the particular diastereomer and the energetics of the different isomers are discussed.",
author = "P. Tarakeshwar and Javed Iqbal and S. Manogaran",
note = "Funding Information: MM2 performs better in predicting the relative energies and distances in this molecule as expected and 1s In agreement with the proton NMR results. In structure 3 the HX and the CH3 proton distance (3 IO-4.37 MM2/3.22-4 56 MNDO) at C-2 fits well with the observed NOESY cross peak (CH3, HX) as compared to structure 2 (4.44-4.86 MM2/4.61-5 21 MNDO) Thus, the energetlcs and proton NMR spectra clearly indicate 2 as the most favoured isomer Acknowledgements . We thank Council of Sclentlfic and Industrial Research, New Delhi, for providing the financial assistance and Bangalore NMR faclllty for recording the spectra.",
year = "1991",
month = jan,
doi = "10.1016/S0040-4020(01)80924-8",
language = "English (US)",
volume = "47",
pages = "297--304",
journal = "Tetrahedron",
issn = "0040-4020",
publisher = "Elsevier Limited",
number = "2",
}