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The domino intramolecular Diels?Alder approach to 16-oxasteroidsElectronic supplementary information (ESI) available: experimental procedures, product characterisation data and 1H NMR spectra for 8, 9, 11 and 12; ORTEP diagrams for 9 and 11. See http://www.rsc.org/suppdata/cc/b3/b303362g/

✍ Scribed by Turner, Craig I.; Williamson, Rachel M.; Turner, Peter; Sherburn, Michael S.

Book ID: 120156394
Publisher: Royal Society of Chemistry
Year: 2003
Tongue: English
Weight: 113 KB
Volume: 13
Category: Article
ISSN: 1359-7345
DOI: 10.1039/B303362G

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Calix[4]arene-functionalized poly-cyclop

Calix[4]arene-functionalized poly-cyclopenta[2,1-b;3,4-b?]bithiophenes with good recognition ability and selectivity for small organic molecules for application in QCM-based sensorsElectronic supplementary information (ESI) available: 1H-NMR spectra of compounds 6, 7, 8, 1, 5, 12; experimental procedures of the reactions of 7 with 3b and of 9 with 1,3-dibromopropane; preparations and characterization for 4 and 5. See http://www.rsc.org/suppdata/jm/b3/b314345g/

✍ Rizzo, Simona; Sannicol�, Franco; Benincori, Tiziana; Schiavon, Gilberto; Zecchi 📂 Article 📅 2004 🏛 Royal Society of Chemistry 🌐 English ⚖ 214 KB

The Hendrickson reagent and the Mitsunob

The Hendrickson reagent and the Mitsunobu reaction: a mechanistic studyElectronic supplementary information (ESI) available: (1) 1H and 13C NMR spectra of 4-chlorobenzyl thioacetate 3 and 4-chlorobenzyl azide 4. (2) 1H NMR stack spectra of alkene region of menthenes 5a?5b formed by (a) thermolysis of menthol diphenylphosphate ester;21 (b) Mitsunobu reagents (Organic Syntheses conditions);16 (c) Hendrickson reagent (Table 1, entry 3) and (d) Hendrickson reagent (Table 1, entry 8). (3) 31P spectra of Mitsunobu reactions performed in the presence of (a) diisopropylethylammonium triflate; (b) diisopropylethylammonium triflate and diisopropylethylamine (2 eq.) and (c) tetrabutylammonium triflate. (4) 1H and 1H{31P} NMR spectra of (?)-menthoxytriphenylphosphonium triflate 11, H3. (5) Table 2 ? raw data for Fig. 3. See http://www.rsc.org/suppdata/ob/b3/b305375j/

✍ Elson, Kathryn E.; Jenkins, Ian D.; Loughlin, Wendy A. 📂 Article 📅 2003 🏛 Royal Society of Chemistry 🌐 English ⚖ 169 KB

1H-1,3-Diazepines, 5H-1,3-diazepines, 1,

1H-1,3-Diazepines, 5H-1,3-diazepines, 1,3-diazepinones, and 2,4-diazabicyclo[3.2.0]heptenesPreliminary reports on parts of this work have been published in ref 1. This paper is Diazepines, Part 3. For Part 2, see ref 2.,Electronic supplementary information (ESI) available: NMR spectra of 4a, 4c, 19v ? 20, 19a ? 25a, and 19g ? 25g (Fig. S1?S6), Arrhenius and Eyring plots for H-exchange in 4b,c (Fig. S7), views of the X-ray crystal structures of compounds 26 and 22bB (Fig. S8?S9), bond lengths and angles for compounds 4k, 22bB and 26, preparative procedures and characterization data for all compounds not described in the Experimental section, and computational data (Cartesian coordinates, absolute energies, IR, 1H and 13C NMR) for 20a?c, 21a?b, 22aA?F and 22aB dimer. See http://www.rsc.org/suppdata/ob/b3/b317099c/

✍ Reisinger, Ales; Koch, Rainer; Bernhardt, Paul V.; Wentrup, Curt 📂 Article 📅 2004 🏛 Royal Society of Chemistry 🌐 English ⚖ 496 KB

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/

✍ Okazaki, Takao; Laali, Kenneth K. 📂 Article 📅 2004 🏛 Royal Society of Chemistry 🌐 English ⚖ 409 KB