4,5-dibromomethyl-2,7-bis(1,1-dimethylethyl)-9,9-dimethyl-xanthene | 896711-11-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 4,5-dibromomethyl-2,7-bis(1,1-dimethylethyl)-9,9-dimethyl-xanthene
• 英文别名: 4,5-Bis(bromomethyl)-2,7-ditert-butyl-9,9-dimethylxanthene
• CAS: 896711-11-8
• 化学式: C₂₅H₃₂Br₂O
• 分子量: 508.336
• InChiKey: HUHITZSQWZBFGX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.8
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4,5-dibromomethyl-2,7-bis(1,1-dimethylethyl)-9,9-dimethyl-xanthene 在 sodium hydroxide 、 硫酸 、 水 、 溶剂黄146 、 三氯氧磷 作用下， 以 乙醇 、 水 为溶剂， 反应 28.0h， 生成 (Z)-2-[2,7-ditert-butyl-5-[(Z)-1-hydroxy-3-oxoprop-1-en-2-yl]-9,9-dimethylxanthen-4-yl]-3-hydroxyprop-2-enal
  参考文献：
  名称：

  Xanthene-Based Ligand with Two Adjacent β-Diiminato Binding Sites

  摘要：

  A novel potential ligand has been designed where two,beta-dialdimine units are linked by a xanthene backbone (H(2)Xanthdim). The synthesis proceeds via a double vinamidinium salt and the products of its hydrolysis (containing eneamine/malonaldehyde units), which were converted into H(2)Xanthdim via a reaction with 2,3-dimethylaniline. The reaction of H(2)Xanthdim with n-butyllithium yields ((Et2O) Li)(2)Xanthdim, which was isolated and crystallized. The crystal structures of both H(2)Xanthdim and its lithium salt are discussed.

  DOI：

  10.1021/jo060394y
• 作为产物：
  描述：

  (2,7-di-tert-butyl-5-hydroxymethyl-9,9-dimethyl-9H-xanthen-4-yl)-methanol 在 三溴化磷 、 lithium bromide 作用下， 以 乙醚 为溶剂， 以85%的产率得到4,5-dibromomethyl-2,7-bis(1,1-dimethylethyl)-9,9-dimethyl-xanthene
  参考文献：
  名称：

  Xanthene-Based Ligand with Two Adjacent β-Diiminato Binding Sites

  摘要：

  A novel potential ligand has been designed where two,beta-dialdimine units are linked by a xanthene backbone (H(2)Xanthdim). The synthesis proceeds via a double vinamidinium salt and the products of its hydrolysis (containing eneamine/malonaldehyde units), which were converted into H(2)Xanthdim via a reaction with 2,3-dimethylaniline. The reaction of H(2)Xanthdim with n-butyllithium yields ((Et2O) Li)(2)Xanthdim, which was isolated and crystallized. The crystal structures of both H(2)Xanthdim and its lithium salt are discussed.

  DOI：

  10.1021/jo060394y

文献信息

• Xanthene-Based Ligand with Two Adjacent β-Diiminato Binding Sites
  作者：Maurice Frederic Pilz、Christian Limberg、Burkhard Ziemer

  DOI：10.1021/jo060394y

  日期：2006.6.1

  A novel potential ligand has been designed where two,beta-dialdimine units are linked by a xanthene backbone (H(2)Xanthdim). The synthesis proceeds via a double vinamidinium salt and the products of its hydrolysis (containing eneamine/malonaldehyde units), which were converted into H(2)Xanthdim via a reaction with 2,3-dimethylaniline. The reaction of H(2)Xanthdim with n-butyllithium yields ((Et2O) Li)(2)Xanthdim, which was isolated and crystallized. The crystal structures of both H(2)Xanthdim and its lithium salt are discussed.