5-Trimethylsilyl-1-[2-[4-[2-(2-trimethylsilylethynyl)phenyl]buta-1,3-diynyl]phenyl]penta-2,4-diyn-1-ol | 214409-47-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-Trimethylsilyl-1-[2-[4-[2-(2-trimethylsilylethynyl)phenyl]buta-1,3-diynyl]phenyl]penta-2,4-diyn-1-ol
• CAS: 214409-47-9
• 化学式: C₂₉H₂₈OSi₂
• 分子量: 448.712
• InChiKey: GQMDFIHJOXNBEA-UHFFFAOYSA-N

物化性质

• 沸点：
  554.756±60.00 °C(Press: 760.00 Torr)(predicted)
• 密度：
  1.091±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.24
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  5-Trimethylsilyl-1-[2-[4-[2-(2-trimethylsilylethynyl)phenyl]buta-1,3-diynyl]phenyl]penta-2,4-diyn-1-ol 在 重水 作用下， 以 苯 为溶剂， 生成 、
  参考文献：
  名称：

  Multiple cycloaromatization of novel aromatic enediynes bearing a triggering device on the terminal acetylene carbon

  摘要：

  Aromatic enediynes (1) bearing a triggering device on the terminal acetylene carbon undergo thermal cyclization at 25 degrees C to yield polyphenylene ring systems (6, 9, 13, and 15(16)) giving radical intermediates, dehydrobenzene monoradical (12) and didehydrobenzene biradicals (4 and 14) which may serve as a DNA-cleaving reagent. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)01454-3
• 作为产物：
  描述：

  1,4-双(三甲硅基)-1,3-丁二炔 、 生成 5-Trimethylsilyl-1-[2-[4-[2-(2-trimethylsilylethynyl)phenyl]buta-1,3-diynyl]phenyl]penta-2,4-diyn-1-ol
  参考文献：
  名称：

  Multiple cycloaromatization of novel aromatic enediynes bearing a triggering device on the terminal acetylene carbon

  摘要：

  Aromatic enediynes (1) bearing a triggering device on the terminal acetylene carbon undergo thermal cyclization at 25 degrees C to yield polyphenylene ring systems (6, 9, 13, and 15(16)) giving radical intermediates, dehydrobenzene monoradical (12) and didehydrobenzene biradicals (4 and 14) which may serve as a DNA-cleaving reagent. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)01454-3