Detail of "5597-27-3"

Reference

Experimental evidence for the breakdown of the Karplus relationship for 3J(13C, 1H) in 1H-C-C=13C Systems

Experimental evidence for the breakdown of the Karplus relationship for 3J(13C, 1H) in 1H-C-C=13C Systems.Some chemicals with cas registry numbers like 5597-27-3 and 694-98-4 are also used. Parella, Teodor; Sanchez-Ferrando, Francisco; Virgili, Albert ( Departament de Quimica, Universitat Autonoma de Barcelona, Barcelona, Spain). Magnetic Resonance in Chemistry, 35(1), 30-34 (English) 1997 Wiley. CODEN: MRCHEG. ISSN: 0749-1581. DOCUMENT TYPE: Journal CA Section: 22 (Physical Organic Chemistry) Section cross-reference(s): 30 Vicinal 1H, 13C coupling consts. were measured for rigid unsatd. 1H-C-C=13C mol. frameworks at natural abundance. As a general trend, an empirical range of 4.5-6.5 Hz is obsd. independent of the value of the dihedral angle between the CH bond and the plane of the double bond. Furthermore, through-bond and through-space substituent effects also influence the magnitude of the coupling consts. in a similar way to that known for satd. systems. In summary, two different additive transmission mechanisms take part in these coupling paths depending on the orientation of the p-system with respect to the allylic bond. The exptl. evidence presented demonstrates the breakdown of the Karplus rule in this particular structural fragment. .

Stable carbocations

Stable carbocations. 283. Carbon-13 NMR spectroscopic investigation of tertiary spiro[cyclopropane-3'-norbornan]-2'-yl cations and their rearrangements. Olah, George A.; Reddy, V. Prakash; Rasul, Golam; Prakash, G. K. Surya (Loker Hydrocarbon Res.Chemicals with cas numbers 5597-27-3 and 16133-64-5 also play role. Inst., Univ. South. California, Los Angeles, CA 90089-1661, USA). J. Org. Chem., 57(4), 1114-18 (English) 1992. CODEN: JOCEAH. ISSN: 0022-3263. DOCUMENT TYPE: Journal CA Section: 22 (Physical Organic Chemistry) Spiro[cyclopropanenorbornanyl] cations 9-11 were prepd. from the corresponding alcs. with 1:1 SbF5 + FSO3H at low temps. and characterized by 13C NMR spectroscopy. Cation 11 is extremely stable up to -20°. Cation 10 rearranges to the phenylmethylbicyclooctenyl cation (13) at about 70°. The cation 9, and its rearranged isomer, 2,4-dimethylbicyclo[3.2.1]oct-3-en-2-yl cation, exist in a 1:1 ratio even at -90°. The chem. shift assignments were aided by ab initio IGLO calcns. The study shows the overwhelming delocalizing ability of the 3-spirocyclopropyl group over C1-C6 s-bond participation. The latter nonclassical s-participation, however, was shown to persist to some extent even in the tertiary 2-norbornyl cations. .