1-{2-[4-(2-Phenylethynyl-phenyl)-buta-1,3-diynyl]-phenyl}-5-trimethylsilanyl-penta-2,4-diyn-1-ol | 214409-48-0

• 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: 1-{2-[4-(2-Phenylethynyl-phenyl)-buta-1,3-diynyl]-phenyl}-5-trimethylsilanyl-penta-2,4-diyn-1-ol
• 英文别名: 1-[2-[4-[2-(2-Phenylethynyl)phenyl]buta-1,3-diynyl]phenyl]-5-trimethylsilylpenta-2,4-diyn-1-ol
• CAS: 214409-48-0
• 化学式: C₃₂H₂₄OSi
• 分子量: 452.627
• InChiKey: IBHCOCALOYFYEK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.41
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 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：

  1-{2-[4-(2-Phenylethynyl-phenyl)-buta-1,3-diynyl]-phenyl}-5-trimethylsilanyl-penta-2,4-diyn-1-ol 以 苯 为溶剂， 反应 65.0h， 以27%的产率得到26-(2-Trimethylsilylethynyl)heptacyclo[14.10.1.02,7.08,27.010,15.017,25.018,23]heptacosa-1(26),2,4,6,8,10,12,14,16(27),17(25),18,20,22-tridecaen-24-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
• 作为产物：
  描述：

  1,4-双(三甲硅基)-1,3-丁二炔 、 2-[4-(2-Phenylethynyl-phenyl)-buta-1,3-diynyl]-benzaldehyde 生成 1-{2-[4-(2-Phenylethynyl-phenyl)-buta-1,3-diynyl]-phenyl}-5-trimethylsilanyl-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

文献信息

• Multiple cycloaromatization of novel aromatic enediynes bearing a triggering device on the terminal acetylene carbon
  作者：Kazuhiro Miyawaki、Tomikazu Kawano、Ikuo Ueda

  DOI：10.1016/s0040-4039(98)01454-3

  日期：1998.9

  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.