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- W2079707939 abstract "2,3,4,5-Tetrahedro-1-benzoxepin (8) and its 3-substituted derivatives (9–13) have been studied by 1 H and 13 C dynamic nuclear magnetic resonance in a few solvent systems. The results show that, while 8 and its methyl derivative 9 exist solely in chair forms (C for 8 and C e :C a (96:4) for 9), the twist-boat (TB) conformation contributes significantly to the conformational equilibria of the derivatives 3-methoxy 10 (C a :C e :TB, 70:20:10), 3,3-dimethyl 11 (C:TB, 90:10), 3,3-methylmethoxy 12(C a :C e :TB, 89:4:7), and 3,3-dimethoxy 13 (C:TB, 92:8). The analysis of several factors (steric, electrostatic, and electronic) on the conformational behaviour of these molecules shows why the TB form is a viable conformational alternative to destabilized chair forms in this benzoxepin system." @default.
- W2079707939 created "2016-06-24" @default.
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- W2079707939 date "1987-11-01" @default.
- W2079707939 modified "2023-09-26" @default.
- W2079707939 title "Conformational analysis of 3-substituted-2,3,4,5-tetrahydro-1-benzoxepin by <sup>1</sup>H and <sup>13</sup>C nuclear magnetic resonance" @default.
- W2079707939 doi "https://doi.org/10.1139/v87-428" @default.
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