| 1426162-54-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• CAS: 1426162-54-0
• 化学式: C₂₆H₂₄N₂O₄
• 分子量: 428.488
• InChiKey: DOEPWYVCMPPVGF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.96
• 重原子数：
  32.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  83.64
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  三光气 、 在 三氢化钐 、 四氯化钛 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以89%的产率得到3,16-dimethoxy-7,12-dioxa-8,11-dioxo-24,26-diazadecahydro[7]helicene
  参考文献：
  名称：

  Facile, Efficient, and Diastereoselective Synthesis of Heterohelicene-like Molecules

  摘要：

  A concise and efficient route to new and interesting heterohelicene-like molecules has been developed through the one-pot, cascade reductive coupling reaction of o-hydroxydiimines or o-nitrodiimines and triphosgene in the presence of TiCl4/Sm. Purification of the final products only required a single recrystallization leading to high purity. High diastereoselectivity was also achieved, and two structures of the final products were confirmed by X-ray diffraction analysis.

  DOI：

  10.1021/ol400154j
• 作为产物：
  描述：

  2-羟基-7-甲氧基-1-萘甲醛 、 乙二胺 以 乙醇 为溶剂， 反应 4.0h， 生成
  参考文献：
  名称：

  Facile, Efficient, and Diastereoselective Synthesis of Heterohelicene-like Molecules

  摘要：

  A concise and efficient route to new and interesting heterohelicene-like molecules has been developed through the one-pot, cascade reductive coupling reaction of o-hydroxydiimines or o-nitrodiimines and triphosgene in the presence of TiCl4/Sm. Purification of the final products only required a single recrystallization leading to high purity. High diastereoselectivity was also achieved, and two structures of the final products were confirmed by X-ray diffraction analysis.

  DOI：

  10.1021/ol400154j