Crystal structure of (3S,1'S)-3-(1',2'-O-cyclohexylidenedioxyethyl)- 2,5,5-trimethyl-tetrahydro-1,2-oxazole-3-carbonitrile, C15H24N2O3
Year: 2008
Type: article
Abstract: C 15 H 24 N 2 O 3 ,monoclinic, P2 1 (no.4), a =9.718(2)Å, b =6.729(2) Å, c =12.792(2) Å, b =105.10(1)°,V =807.6 Å 3 , Z =2,R gt(F) =0.078, wRref(F 2 ) =0.157, T =293 K. SSource of materialThe title compound has been obtained by nucleophilic addition of sodium cyanide NaCN to the N-methylisoxazolinium salts that formed by N-methylation of (1'S)-3-(1',2'-O-cyclohexylidenedioxyethyl)-5,5-dimethyl-4,5-dihydroisoxazole with Meerwein's salt Me 3 OBF 4 [1-5].Separation of the two diastereoisomers, purification by column chromatography (petroleum ether/ethyl acetate) and crystallization from petroleum ether gave the title isoxazole-compound in the form of colourless crystals [1] (m.p. 365 -367 K); [a] D 20 = -126.8(c =1.000, CHCl3).
Authors: Wolfgang Frey, Mohammad Ibrahim, Volker Jäger
Institution: University of Stuttgart
Language: English
Subfield: Inorganic Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: gold
Estimated APC paid: $848
OpenAlex ID: W2022214501