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- W2004611944 abstract "The selection of odor-active conformers and the construction of a model for a targeted odor type, i.e., for the lily-of-the-valley odor, were examined. The disagreement of the odors of 1,3,4,5-tetrahydro-2-benzoxepin derivative 1 and 3-[4-(tert-butyl)phenyl]-2-methylpropanal (2) is discussed in terms of their stable conformers. The conformer active for the lily-of-the-valley odor was investigated by conformational analyses of several related compounds. Based on the integrated model consisting of the assumed active conformers (Fig. 5), compounds anticipated to possess the lily-of-the-valley odor were designed and synthesized. The odor of synthetic 7-(tert-butyl)-1,2,4,5-tetrahydro-3H-benzocyclohepten-3-one (8) and 3-[4-(tert-butyl)phenyl]cyclopentanone (13) were evaluated by perfumers to have a floral odor and to recall the lily-of-the-valley and lilac odors, respectively. Our methodology to design new odoriferous compounds, based on conformational analysis, selection of odor-active conformers, and construction of a model, proved to be satisfactory." @default.
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- W2004611944 date "2001-07-11" @default.
- W2004611944 modified "2023-09-26" @default.
- W2004611944 title "Conformational Analysis and Selection of Odor-Active Conformers: Synthesis of Molecules Designed for the Lily-of-the-Valley(Muguet)-Type Odor" @default.
- W2004611944 doi "https://doi.org/10.1002/1522-2675(20010711)84:7<2051::aid-hlca2051>3.0.co;2-h" @default.
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