1-[4-(3,6-di-tert-butyl-N-carbazolyl)phenyl]hexa-1,3,5-triyne | 1033351-51-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 1-[4-(3,6-di-tert-butyl-N-carbazolyl)phenyl]hexa-1,3,5-triyne
• 英文别名: 3,6-Di-(tert-butyl)-9-{4-(hexatriynyl)phenyl}carbazole；3,6-ditert-butyl-9-(4-hexa-1,3,5-triynylphenyl)carbazole
• CAS: 1033351-51-7
• 化学式: C₃₂H₂₉N
• 分子量: 427.589
• InChiKey: FOTPKOFRUYRIFQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.4
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  4.9
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1-[4-(3,6-di-tert-butyl-N-carbazolyl)phenyl]hexa-1,3,5-triyne 在 N-碘代丁二酰亚胺 、 silver nitrate 作用下， 以 丙酮 为溶剂， 反应 1.0h， 以65%的产率得到1-[4-(3,6-di-tert-butyl-N-carbazolyl)phenyl]-6-iodo-1,3,5-hexatriyne
  参考文献：
  名称：

  Synthesis and Crystal Structures of Isolable Terminal Aryl Hexatriyne and Octatetrayne Derivatives: Ar−(C≡C)_nH (n = 3, 4)

  摘要：

  Unprecedented stability has been observed in terminal aryl hexatriyne and terminal aryl octatetrayne derivatives by judicious choice of a bulky, nonplanar headgroup [viz., 4-(3,6-di-tert-butyl-N-carbazolyl)phenyl] which hinders topochemical intermolecular interactions in the crystal lattice.

  DOI：

  10.1021/ol801121p
• 作为产物：
  描述：

  1-[4-(3,6-di-tert-butyl-N-carbazolyl)phenyl]-6-trimethylsilyl-1,3,5-hexatriyne 在 甲醇 、 potassium carbonate 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以61%的产率得到1-[4-(3,6-di-tert-butyl-N-carbazolyl)phenyl]hexa-1,3,5-triyne
  参考文献：
  名称：

  Synthesis and Crystal Structures of Isolable Terminal Aryl Hexatriyne and Octatetrayne Derivatives: Ar−(C≡C)_nH (n = 3, 4)

  摘要：

  Unprecedented stability has been observed in terminal aryl hexatriyne and terminal aryl octatetrayne derivatives by judicious choice of a bulky, nonplanar headgroup [viz., 4-(3,6-di-tert-butyl-N-carbazolyl)phenyl] which hinders topochemical intermolecular interactions in the crystal lattice.

  DOI：

  10.1021/ol801121p

文献信息

• Synthesis and Crystal Structures of Isolable Terminal Aryl Hexatriyne and Octatetrayne Derivatives: Ar−(C≡C)_<i>n</i>H (<i>n</i> = 3, 4)
  作者：Changsheng Wang、Andrei S. Batsanov、Kara West、Martin R. Bryce

  DOI：10.1021/ol801121p

  日期：2008.7.17

  Unprecedented stability has been observed in terminal aryl hexatriyne and terminal aryl octatetrayne derivatives by judicious choice of a bulky, nonplanar headgroup [viz., 4-(3,6-di-tert-butyl-N-carbazolyl)phenyl] which hinders topochemical intermolecular interactions in the crystal lattice.