2-(4,4,5,5-tetramethyl-[1,3,2]-dioxaborolan-2-yl)-8,8-diphenyl-8H-3-thia-cyclopenta[a]indene

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: 2-(4,4,5,5-tetramethyl-[1,3,2]-dioxaborolan-2-yl)-8,8-diphenyl-8H-3-thia-cyclopenta[a]indene
• 英文别名: 2-(4,4-Diphenylindeno[1,2-b]thiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane；2-(4,4-diphenylindeno[1,2-b]thiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• 化学式: C₂₉H₂₇BO₂S
• 分子量: 450.409
• InChiKey: SSBOSNDXEBNHAX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.41
• 重原子数：
  33
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  46.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(4,4,5,5-tetramethyl-[1,3,2]-dioxaborolan-2-yl)-8,8-diphenyl-8H-3-thia-cyclopenta[a]indene 在 potassium phosphate 、 四(三苯基膦)钯 、 三叔丁基膦 作用下， 以 四氢呋喃 、 1,4-二氧六环 为溶剂， 反应 48.0h， 生成
  参考文献：
  名称：

  Syntheses and Structures of Novel Heteroarene-Fused Coplanar π-Conjugated Chromophores

  摘要：

  We have synthesized a series of novel coplanar chromophores in which heteroarenes, namely, thiophene, benzothiophene, and carbazole, were fused to neighboring phenylene ring(s) through intramolecular annulation via sp(3)-hybridized carbon atoms bearing two p-tolyl groups as peripheral substituents. The molecular configurations of the d-conjugated backbones were determined by X-ray crystallographic analysis; the heteroarene-fused molecular frameworks of these novel molecules exhibit nearly coplanar conformations.

  DOI：

  10.1021/ol061791y
• 作为产物：
  描述：

  异丙醇频哪醇硼酸酯 、 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 0.5h， 以70%的产率得到2-(4,4,5,5-tetramethyl-[1,3,2]-dioxaborolan-2-yl)-8,8-diphenyl-8H-3-thia-cyclopenta[a]indene
  参考文献：
  名称：

  Structural effects on the hole mobilities of indenothiophene-embedded homologs

  摘要：

  A systematic study of the relationship between the structures and the non-dispersive hole mobilities (Lip to 10(-3) cm(2) V-1 s(-1)) of a homologous series of amorphous indenothiophene-containing materials is described. The hole mobilities were dependent mainly on the length and rigidity of the pi-conjugated backbone and the peripheral substituents. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.02.148

文献信息

• Syntheses and Structures of Novel Heteroarene-Fused Coplanar π-Conjugated Chromophores
  作者：Ken-Tsung Wong、Teng-Chih Chao、Liang-Chen Chi、Ying-Ying Chu、Akula Balaiah、Shih-Feng Chiu、Yi-Hung Liu、Yu Wang

  DOI：10.1021/ol061791y

  日期：2006.10.1

  We have synthesized a series of novel coplanar chromophores in which heteroarenes, namely, thiophene, benzothiophene, and carbazole, were fused to neighboring phenylene ring(s) through intramolecular annulation via sp(3)-hybridized carbon atoms bearing two p-tolyl groups as peripheral substituents. The molecular configurations of the d-conjugated backbones were determined by X-ray crystallographic analysis; the heteroarene-fused molecular frameworks of these novel molecules exhibit nearly coplanar conformations.
• Structural effects on the hole mobilities of indenothiophene-embedded homologs
  作者：Teng-Chih Chao、Ken-Tsung Wong、Wen-Yi Hung、Tei-Hung Hou、Wei-Jiun Chen

  DOI：10.1016/j.tetlet.2009.02.148

  日期：2009.7

  A systematic study of the relationship between the structures and the non-dispersive hole mobilities (Lip to 10(-3) cm(2) V-1 s(-1)) of a homologous series of amorphous indenothiophene-containing materials is described. The hole mobilities were dependent mainly on the length and rigidity of the pi-conjugated backbone and the peripheral substituents. (C) 2009 Elsevier Ltd. All rights reserved.