1-[2-[4-[2-(4-Phenylbuta-1,3-diynyl)phenyl]buta-1,3-diynyl]phenyl]-5-trimethylsilylpenta-2,4-diyn-1-ol | 214409-49-1

• 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-(4-Phenylbuta-1,3-diynyl)phenyl]buta-1,3-diynyl]phenyl]-5-trimethylsilylpenta-2,4-diyn-1-ol
• CAS: 214409-49-1
• 化学式: C₃₄H₂₄OSi
• 分子量: 476.649
• InChiKey: HCCGQMSNSLVTQF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.41
• 重原子数：
  36
• 可旋转键数：
  9
• 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-(4-Phenylbuta-1,3-diynyl)phenyl]buta-1,3-diynyl]phenyl]-5-trimethylsilylpenta-2,4-diyn-1-ol 、 苯 反应 48.0h， 以60%的产率得到22-Phenyl-11-(2-trimethylsilylethynyl)octacyclo[22.2.2.13,10.02,23.04,9.012,20.014,19.021,29]nonacosa-2,4,6,8,10,12(20),14,16,18,21(29),22,25,27-tridecaen-13-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：

  (4-trimethylsilyl-1,3-butadiynyl)lithium 、 2-[4-[2-(4-Phenylbuta-1,3-diynyl)phenyl]buta-1,3-diynyl]benzaldehyde 以 乙醚 为溶剂， 生成 1-[2-[4-[2-(4-Phenylbuta-1,3-diynyl)phenyl]buta-1,3-diynyl]phenyl]-5-trimethylsilylpenta-2,4-diyn-1-ol
  参考文献：
  名称：

  Domino thermal radical cycloaromatization of non-conjugated aromatic hexa- and heptaynes: synthesis of fluoranthene and benzo[a]rubicene skeletons

  摘要：

  Non-conjugated aromatic hexa- and heptaynes underwent domino thermal radical cycloaromatization at 25 degrees C to yield indenol ring-fused fluoranthene and indenol ring-fused benzo[a]rubicene skeletons with helicity. This multicyclization reaction proceeded regioselectively to yield [6]helicene derivatives via annulation at the final step. The structure and thermal racemization of [6]helicene derivatives (6 and 7) is also described. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)02312-6

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.
• Domino thermal radical cycloaromatization of non-conjugated aromatic hexa- and heptaynes: synthesis of fluoranthene and benzo[a]rubicene skeletons
  作者：Kazuhiro Miyawaki、Tomikazu Kawano、Ikuo Ueda

  DOI：10.1016/s0040-4039(99)02312-6

  日期：2000.2

  Non-conjugated aromatic hexa- and heptaynes underwent domino thermal radical cycloaromatization at 25 degrees C to yield indenol ring-fused fluoranthene and indenol ring-fused benzo[a]rubicene skeletons with helicity. This multicyclization reaction proceeded regioselectively to yield [6]helicene derivatives via annulation at the final step. The structure and thermal racemization of [6]helicene derivatives (6 and 7) is also described. (C) 2000 Elsevier Science Ltd. All rights reserved.