53783-87-2Relevant articles and documents
Inter- and intramolecular O-H···π hydrogen bonding in the methanol-ethene complex and syn-7-norbornenol, probed by IR, 1H NMR and quantum chemistry
Bjerkeseth, Leif H.,Bakke, Jan M.,Uggerud, Einar
, p. 319 - 338 (2001)
The geometries and energies of syn-7-norbornenol (1) have been investigated with theoretical and experimental methods, while its epimer anti-7-norbornenol (2) has been investigated by theoretical methods only. It was found that 1 is intramolecularly hydrogen bonded and exists almost exclusively in its hydrogen bonded form, the Anti conformer. Compound 2, for which intramolecular hydrogen bonding is impossible, was found to exist as the Gauche conformer. A theoretical investigation of the model complex between methanol and ethene showed that the interaction energy is -3.1 ± 0.1 kcal mol-1 (estimated Hartree-Fock basis set limit plus correlation contribution, not including vibrational zero point energy). Electron correlation is essential in the evaluation of the interaction energy and also for the geometry of the complex. It was found that the potential energy surface around the minimum energy structure is flat, with an almost freely rotating methanol part.
TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROISOQUINOLINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY
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Page/Page column 142-143, (2010/02/07)
The present invention is directed to compounds of the formula I: I(wherein R1, R2, R3, R4, R5, R6, R7, R8, R9, R10, X, n and the dashed line are defined herein) which are useful as modulators of chemokine receptor activity. In particular, these compounds are useful as modulators of the chemokine receptor CCR-2.
Synthesis of 3-Cyclopentenols by Alkoxy-Accelerated Vinylcyclopropane Rearrangement
Danheiser, Rick L.,Martinez-Davila, Carlos,Morin, John M.
, p. 1340 - 1341 (2007/10/02)
Lithium salts of 2-vinyl-1-cyclopropanols undergo vinylcyclopropane rearrangement at room temperature, providing an efficient method for the conversion of 1,3-dienes to functionalized cyclopentenes.