Title: Bullvalene
CAS Registry Number: 1005-51-2
CAS Name: Tricyclo[,8]deca-3,6,9-triene
Additional Names: tricyclo[,6]deca-2,7,9-triene
Molecular Formula: C10H10
Molecular Weight: 130.19
Percent Composition: C 92.26%, H 7.74%
Literature References: Molecular structure is highly fluxional; spontaneously undergoes a 3-fold structurally degenerate Cope rearrangement at room temp, resulting in 10!/3 structurally equivalent geometric isomers. 1H NMR spectrum is a sharp singlet peak at high temp. Predicted as a hypothetical molecule: W. von E. Doering, W. R. Roth, Tetrahedron 19, 715 (1963). Prepn: G. Schröder, Angew. Chem. 75, 722 (1963). 1H NMR spectrum: R. Merényi et al., Ber. 97, 3150 (1964). Vapor phase structure determn: B. Andersen, A. Marstrander, Acta Chem. Scand. 25, 1271 (1971). Microwave and vibrational spectral study: W. M. Stigliani, V. W. Laurie, J. Mol. Spectrosc. 60, 188 (1976). Calorimetry study: M. Mansson, S. Sunner, J. Chem. Thermodyn. 13, 671 (1981). Review of chemistry: G. Schröder, J. F. M. Oth, Angew. Chem. Int. Ed. 6, 414-423 (1967); of discovery and characterization: A. Ault, J. Chem. Educ. 78, 924-927 (2001).
Properties: mp 96°.
Melting point: mp 96°

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