2,5-bis(dimethyl-tert-butylsilyl)-spiro[cyclopenta[1,2-b:4,3-b']dithiophene-7,9'-fluorene] | 899793-78-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 2,5-bis(dimethyl-tert-butylsilyl)-spiro[cyclopenta[1,2-b:4,3-b']dithiophene-7,9'-fluorene]
• 英文别名: Tert-butyl-[10-[tert-butyl(dimethyl)silyl]spiro[5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene-7,9'-fluorene]-4-yl]-dimethylsilane；tert-butyl-[10-[tert-butyl(dimethyl)silyl]spiro[5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene-7,9'-fluorene]-4-yl]-dimethylsilane
• CAS: 899793-78-3
• 化学式: C₃₃H₄₀S₂Si₂
• 分子量: 556.984
• InChiKey: BYNKOBXMAMHHME-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.58
• 重原子数：
  37
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  56.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,5-bis(dimethyl-tert-butylsilyl)-spiro[cyclopenta[1,2-b:4,3-b']dithiophene-7,9'-fluorene] 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 48.0h， 以40%的产率得到2,5-bis(dimethyl-tert-butylsilyl)-spiro[cyclopenta[1,2-b:4,3-b']dithiophene-mono-S,S-dioxide-7,9'-fluorene]
  参考文献：
  名称：

  An Effective Strategy to Tune Supramolecular Interaction via a Spiro-Bridged Spacer in Oligothiophene-S,S-dioxides and Their Anomalous Photoluminescent Behavior

  摘要：

  We demonstrate that incorporating nonplanar spiro-bridged structures is an effective strategy for tuning supramolecular interactions of optoelectronic functional moieties. In the model compounds spiro-bridged oligothiophene-S,S-dioxides (BSiSDTFO), unusual dimers constructed by spiro-bridged spacers do not form excimers, which is confirmed by crystallographic data and fluorescent emission spectra.

  DOI：

  10.1021/ol070006u
• 作为产物：
  描述：

  3,3'-双噻吩 在 N-溴代丁二酰亚胺(NBS) 、 正丁基锂 、 magnesium 作用下， 以 四氢呋喃 、 盐酸 、 正己烷 、 溶剂黄146 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 生成 2,5-bis(dimethyl-tert-butylsilyl)-spiro[cyclopenta[1,2-b:4,3-b']dithiophene-7,9'-fluorene]
  参考文献：
  名称：

  An Effective Strategy to Tune Supramolecular Interaction via a Spiro-Bridged Spacer in Oligothiophene-S,S-dioxides and Their Anomalous Photoluminescent Behavior

  摘要：

  We demonstrate that incorporating nonplanar spiro-bridged structures is an effective strategy for tuning supramolecular interactions of optoelectronic functional moieties. In the model compounds spiro-bridged oligothiophene-S,S-dioxides (BSiSDTFO), unusual dimers constructed by spiro-bridged spacers do not form excimers, which is confirmed by crystallographic data and fluorescent emission spectra.

  DOI：

  10.1021/ol070006u

文献信息

• An Effective Strategy to Tune Supramolecular Interaction via a Spiro-Bridged Spacer in Oligothiophene-<i>S</i>,<i>S</i>-dioxides and Their Anomalous Photoluminescent Behavior
  作者：Ling-Hai Xie、Xiao-Ya Hou、Yu-Ran Hua、Yan-Qin Huang、Bao-Min Zhao、Feng Liu、Bo Peng、Wei Wei、Wei Huang

  DOI：10.1021/ol070006u

  日期：2007.4.1

  We demonstrate that incorporating nonplanar spiro-bridged structures is an effective strategy for tuning supramolecular interactions of optoelectronic functional moieties. In the model compounds spiro-bridged oligothiophene-S,S-dioxides (BSiSDTFO), unusual dimers constructed by spiro-bridged spacers do not form excimers, which is confirmed by crystallographic data and fluorescent emission spectra.