spiro[cyclohexane-1,4'-[3,5]dioxa[8]thiabicyclo[5.1.0]octane] | 1021166-14-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: spiro[cyclohexane-1,4'-[3,5]dioxa[8]thiabicyclo[5.1.0]octane]
• CAS: 1021166-14-2
• 化学式: C₁₀H₁₆O₂S
• 分子量: 200.302
• InChiKey: FNQLRKSWEGKJQE-DTORHVGOSA-N

反应信息

• 作为产物：
  描述：

  spiro[cyclohexane-1,4'-[3,5,8]trioxabicyclo[5.1.0]octane] 在 硫脲 作用下， 以 甲醇 为溶剂， 反应 48.0h， 以63%的产率得到spiro[cyclohexane-1,4'-[3,5]dioxa[8]thiabicyclo[5.1.0]octane]
  参考文献：
  名称：

  七元杂环的立体化学：XLVI。螺[环己烷-1,4'-[3,5]二恶双环[5.1.0]辛烷]的合成及13 C NMR动态光谱。结构相关的甲醛和丙酮缩醛的DFT计算

  摘要：

  Spiro[cyclohexane-1,4'-[3,5]dioxabicyclo[5.1.0]octanes] were synthesized, and their conformational behavior was studied by dynamic C-13 NMR spectroscopy. Anancomeric displacement of conformational equilibrium toward two nonequivalent twist conformers with close energies was revealed. The relative Gibbs energies Delta G degrees and enthalpies of formation Delta H degrees of twist and chair-like conformers with endo and exo orientation of the three-membered ring of structurally related formaldehyde and acetone acetals were calculated in terms of the density functional theory at the B3LYP/6-31G(d,p) level. Like spiro-cyclohexane analogs, they were shown to have a non-chair conformation.

  DOI：

  10.1134/s1070428007120196