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First stereoselective cyclisation in the cembrane series: X-ray structure of (+)-(4R,8R,11S,12E,14S,16R)-11-isopropyl-4,8,14-trimethyl-14-morpholin-4-yl-3-oxa-2-azatricyclo[6.6.2.04,16]hexadeca-1,12-diene

✍ Scribed by Alexander M. Agafontsev; Tatyana V. Rybalova; Yurii V. Gatilov; Alexey V. Tkachev

Book ID
108209732
Publisher
Royal Society of Chemistry
Year
2009
Tongue
English
Weight
313 KB
Volume
19
Category
Article
ISSN
0959-9436

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ChemInform Abstract: First Stereoselecti
ChemInform Abstract: First Stereoselective Cyclization in the Cembrane Series: X-Ray Structure of (+)-(4R,8R,11S,12E,14S,16R) -11-Isopropyl-4,8,14-trimethyl-14-morpholin-4-yl-3-oxa-2-azatricyclo [6.6.2.04,16]hexadeca-1,12-diene.
✍ Alexander M. Agafontsev; Tatyana V. Rybalova; Yurii V. Gatilov; Alexey V. Tkache πŸ“‚ Article πŸ“… 2010 πŸ› John Wiley and Sons βš– 23 KB πŸ‘ 2 views

## Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a β€œFull Text” option. The original article is trackable v

Electrophilic and oxidative chemistry of
Electrophilic and oxidative chemistry of pyrene and its non-alternant isomers: theoretical (DFT, GIAO-NMR, NICS) study of protonation carbocations and oxidation dications from pyrene, azupyrene (dicyclopenta[ef,kl]heptalene) and dicyclohepta[ed,gh]pentaleneElectronic supplementary information (ESI) available: Table S1: Electronic energies (E), zero point energies (ZPE) and Gibbs free energies (G) obtained from DFT calculations for the studied molecules and cations at B3LYP/6-31G(d) level. Figs. S1, S8 and S10 and Tables S2?S14: Optimized structures and Cartesian coordinates for 1, 1aH+, 1bH22+, 12+, 2, 2aH+, 2aH22+, 22+, 3, 3cH+, 3eH22+ and 32+. Figs. S2, S3 and S4: Computed 13C NMR chemical shifts and NPA-derived charges for 1aH+, 122+ and 12+. Fig. S5: Experimental 13C NMR chemical shifts for 1aH+ and 12+. Figs. S6, S7, and S12: HOMO?LUMO forms in the oxidation dications. Figs. S9 and S11: Bond-lengths in X-ray derived and computed structures for 2 and 3. See http://www.rsc.org/suppdata/ob/b4/b405009f/
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