Conformational studies of 5,5-dimethyl-2-oxo-1,3,2-dioxaphosphorinanes by means of dipole moments, lonization potentials and CNDO/2 calculations
β Scribed by K. Faegri Jr.; T. Gramstad; K. Tjessem
- Publisher
- Elsevier Science
- Year
- 1976
- Tongue
- English
- Weight
- 724 KB
- Volume
- 32
- Category
- Article
- ISSN
- 0022-2860
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Both cis-2-(isocyanomethyl)-5,5-dimethyl-2-oxo-4-phenyl-upon dehydration gave 1a. Thus, both (Β±)-1a and (2S,4S)-(Οͺ)-1a were prepared, and their molecular structures were 1,3,2-dioxaphosphorinane (1a) and the trans epimer 1b have been prepared as potentially useful chiral isocyano-determined by singl
Results of IR and 1 H, 13 C, and 31 P NMR studies of the anancomeric title compounds (2-5) and compound 1 (Scheme 1) are analyzed to search for the existence of high-energy boat or twist-boat conformations in the equatorial epimers. While the difference in frequencies (Dm) Pβ«Χ‘β¬O between the axial an
The crystal structure of the title compound (3) was determined by the X-ray diffraction technique from diffractometer intensity measurements: C,H, O& monoclin{c space group P2, c, a = 12.644( 1) A, b = 6.102(1) A, c = 12.920(2) 1, B = 110.78(1)", 2193 reflections, and R = 0.043. The molecule of 3 ad