| 1315275-69-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• CAS: 1315275-69-4
• 化学式: C₁₅H₁₄O₄
• 分子量: 258.274
• InChiKey: NCZMHBKOUQEZHF-GASCZTMLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.18
• 重原子数：
  19.0
• 可旋转键数：
  0.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  58.92
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  在 四氯化钛 、 锌 作用下， 以 四氢呋喃 为溶剂， 以75%的产率得到(Z)-dibenzo[d,h][1,3]dioxonine
  参考文献：
  名称：

  Synthesis, physico-chemical, structure and supramolecular properties of pinacolophanes: versatile synthetic precursors to stilbenophanes

  摘要：

  Novel pinacolophanes tethered by methyl and ethyl chains were synthesised and characterised. The stereochemistry of these small-sized cyclophanes was determined by NMR spectral data as well as by single-crystal X-ray analysis. Intramolecular hydrogen bondings in the crystal structure of the molecules play an important role in holding their configuration, while the intermolecular hydrogen bondings lead to a designed arrangement of the molecules. The stereoselective transformation of pinacolophanes to stilbenophanes in improved yield is also reported.

  DOI：

  10.1080/10610278.2010.544954
• 作为产物：
  描述：

  水杨醛 在 四氯化钛 、 锌 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 生成
  参考文献：
  名称：

  Synthesis, physico-chemical, structure and supramolecular properties of pinacolophanes: versatile synthetic precursors to stilbenophanes

  摘要：

  Novel pinacolophanes tethered by methyl and ethyl chains were synthesised and characterised. The stereochemistry of these small-sized cyclophanes was determined by NMR spectral data as well as by single-crystal X-ray analysis. Intramolecular hydrogen bondings in the crystal structure of the molecules play an important role in holding their configuration, while the intermolecular hydrogen bondings lead to a designed arrangement of the molecules. The stereoselective transformation of pinacolophanes to stilbenophanes in improved yield is also reported.

  DOI：

  10.1080/10610278.2010.544954