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(1S,2R,4S)-1-[(Benzyl-amino)-meth-yl]-4-(prop-1-en-2-yl)cyclo-hexane-1,2-diol.

ABSTRACT: The title compound, C(17)H(25)NO(2), was synthesized by epoxidation of the double bond of (S)-perillyl alcohol [(S)-4-isopropenyl-1-cyclo-hexenyl-methanol], followed by the oxirane ring-opening by benzyl-amine using [Ca(CF(3)CO(2))(2)] as catalyst under solvent-free condition at 313?K. The mol-ecular conformation is stabilized by an intra-molecular O-H?N hydrogen bond. In the crystal, mol-ecules are linked by inter-molecular N-H?O hydrogen bonds, forming chains parallel to the a axis, which are further connected by O-H?O hydrogen bonds into sheets parallel to (010). The absolute configuration of the mol-ecule is known from the synthetic procedure.

SUBMITTER: Outouch R 

PROVIDER: S-EPMC3050382 | biostudies-literature | 2010 Dec

REPOSITORIES: biostudies-literature

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(1S,2R,4S)-1-[(Benzyl-amino)-meth-yl]-4-(prop-1-en-2-yl)cyclo-hexane-1,2-diol.

Outouch Rachid R   Boualy Brahim B   Ali Mustapha Ait MA   Firdoussi Larbi El LE   Rizzoli Corrado C  

Acta crystallographica. Section E, Structure reports online 20101218 Pt 1

The title compound, C(17)H(25)NO(2), was synthesized by epoxidation of the double bond of (S)-perillyl alcohol [(S)-4-isopropenyl-1-cyclo-hexenyl-methanol], followed by the oxirane ring-opening by benzyl-amine using [Ca(CF(3)CO(2))(2)] as catalyst under solvent-free condition at 313 K. The mol-ecular conformation is stabilized by an intra-molecular O-H⋯N hydrogen bond. In the crystal, mol-ecules are linked by inter-molecular N-H⋯O hydrogen bonds, forming chains parallel to the a axis, which are  ...[more]

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