1,1-dimethyl-4-mesitylbis(benzo[b]thieno)[2,3-b:3′,2′-e][1,4-dihydro-1,4]silaborin | 1446223-72-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: 1,1-dimethyl-4-mesitylbis(benzo[b]thieno)[2,3-b:3′,2′-e][1,4-dihydro-1,4]silaborin
• 英文别名: 12,12-Dimethyl-2-(2,4,6-trimethylphenyl)-10,14-dithia-12-sila-2-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene；12,12-dimethyl-2-(2,4,6-trimethylphenyl)-10,14-dithia-12-sila-2-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene
• CAS: 1446223-72-8
• 化学式: C₂₇H₂₅BS₂Si
• 分子量: 452.524
• InChiKey: JRPJODHCQJSINF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.69
• 重原子数：
  31
• 可旋转键数：
  1
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  56.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2,3-二溴苯并[b]噻吩 在 正丁基锂 作用下， 以 乙醚 、 正己烷 、 甲苯 为溶剂， 反应 33.92h， 生成 1,1-dimethyl-4-mesitylbis(benzo[b]thieno)[2,3-b:3′,2′-e][1,4-dihydro-1,4]silaborin
  参考文献：
  名称：

  Benzo[b]thiophene-Fused Boron and Silicon Ladder Acenes

  摘要：

  Synthetic routes to three new heteroacene compounds in which two benzo[b]thienyl units are bridged by dimethylsilyl and/or mesitylboryl units are described. In the Si/Si and Si/B compounds 1-syn and 3-syn, respectively, the sulfur atoms of the flanking benzo[b]thiophenes are disposed in meta positions on the central six-membered heterocycle, while in the B/B compound 4-anti, they are para to each other; the reasons for this lie in the synthetic method employed to prepare 4-anti. All three compounds were crystallographically characterized and their photophysical properties examined. A comprehensive examination of their photophysical properties shows that they are weakly absorbing and fluorescing materials, with the diborin derivative 4-anti exhibiting the most red-shifted absorption maxima and largest fluorescence quantum yield.

  DOI：

  10.1021/om4004187

文献信息

• Benzo[<i>b</i>]thiophene-Fused Boron and Silicon Ladder Acenes
  作者：Lauren G. Mercier、Warren E. Piers、Ross W. Harrington、William Clegg

  DOI：10.1021/om4004187

  日期：2013.11.25

  Synthetic routes to three new heteroacene compounds in which two benzo[b]thienyl units are bridged by dimethylsilyl and/or mesitylboryl units are described. In the Si/Si and Si/B compounds 1-syn and 3-syn, respectively, the sulfur atoms of the flanking benzo[b]thiophenes are disposed in meta positions on the central six-membered heterocycle, while in the B/B compound 4-anti, they are para to each other; the reasons for this lie in the synthetic method employed to prepare 4-anti. All three compounds were crystallographically characterized and their photophysical properties examined. A comprehensive examination of their photophysical properties shows that they are weakly absorbing and fluorescing materials, with the diborin derivative 4-anti exhibiting the most red-shifted absorption maxima and largest fluorescence quantum yield.