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Ab initio studies on 5-bromo-10-oxa-3-Thiatricyclo[5.2.1.01,5]-dec-8-ene 3,3-dioxide
(SLOVENSKO KEMIJSKO DRUSTVO, 2007)
5-Bromo-10-oxa-3-thiatricyclo[5.2.1.0(1,5)]-dec-8-ene3,3-dioxide (BOTCDO) was synthesized from the reaction between 2-(2-bromoallylsulfanylmethyl)-furan and m-chloroperbenzoic acid in dichloromethane. The molecular structure ...
2-(4-Methoxy-2-methylanilino)-1,2-diphenylethanone
(WILEY-BLACKWELL, 2011)
The title compound, C22H21NO2, was synthesized from 4-methoxy-2-methylaniline and 2-hydroxy-1,2-diphenylethanone. In the title compound, the C-C-C-N-C backbone adopts an all-trans conformation. The crystal structure is ...
A Study of Palladium Catalyzed Intra/Intermolecular Cascade Cross Coupling/Cyclizations Involving Bicyclopropylidene
(MDPI AG, 2014)
The compounds [3-(2-Bromocyclohex-2-enyloxy) prop-1-ynyl]-tert-butyldimethylsilane 3, [4-(2-bromocyclohex-2-en-1-yloxy)but-2-yn-1-yloxy] tert-butyldimethylsilane 5 and dimethyl 2-(2-bromocyclohex-2-enyl)-2-(3-(tert-butyl ...
Vibrational Spectroscopy Investigation Using Ab Initio and Density Functional Theory Analysis on the Structure of tert-Butyl 3a-Chloroperhydero-2,6a-epoxyoxireno[e]isoindole-5-carboxylate
(HINDAWI LTD, 2013)
The molecular structure, vibrational frequencies, and infrared intensities of the tert-butyl 3a-Chloroperhydero-2,6a-epoxyoxireno[e]isoindole-5-carboxylate were calculated by the HF and DFT (BLYP and B3LYP) methods using ...
(3aR,6S,7aR)-7a-Bromo-2-[(4-methylphenyl)sulfonyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole
(WILEY-BLACKWELL, 2011)
In the title compound, C15H16BrNO3S, the boat form of the six-membered ring is almost symmetrical with respect to the epoxy bridge. The two five-membered rings generated by the epoxy bridge of the six-membered ring adopt ...
(3aR,4S,7R,7aS)-2-Phenyl-4-propyl-3a,4,7,7a-tetrahydro-1H-4,7-epithioisoindole-1,3-dione 8-oxide
(WILEY-BLACKWELL, 2011)
In the tetrahydroisoindole moiety of the title compound, C17H17NO3S, the six-membered ring assumes a boat configuration and the -S=O group bridges the prow and stern of the boat. The phenyl ring is oriented at a dihedral ...
(3aR,6S,7aR)-7a-Bromo-2-methylsulfonyl-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole
(WILEY-BLACKWELL, 2011)
In the title compound, C9H12BrNO3S, the two tetrahydrofuran rings adopt envelope conformations, the pyrrolidine ring adopts a half-chair conformation and the six-membered ring is in a boat conformation. In the crystal, ...