[2,6-Bis-(4-hexyloxy-phenyl)-7-(hydroxy-diphenyl-methyl)-benzo[1,2-b;4,5-b']dithiophen-3-yl]-diphenyl-methanol | 871334-21-3

• 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: [2,6-Bis-(4-hexyloxy-phenyl)-7-(hydroxy-diphenyl-methyl)-benzo[1,2-b;4,5-b']dithiophen-3-yl]-diphenyl-methanol
• 英文别名: [2,6-Bis(4-hexoxyphenyl)-3-[hydroxy(diphenyl)methyl]thieno[2,3-f][1]benzothiol-7-yl]-diphenylmethanol；[2,6-bis(4-hexoxyphenyl)-3-[hydroxy(diphenyl)methyl]thieno[2,3-f][1]benzothiol-7-yl]-diphenylmethanol
• CAS: 871334-21-3
• 化学式: C₆₀H₅₈O₄S₂
• 分子量: 907.25
• InChiKey: RKIMGGGAGKQTNN-UHFFFAOYSA-N

物化性质

• 密度：
  1.190±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  16.5
• 重原子数：
  66
• 可旋转键数：
  20
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  115
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  [2,6-Bis-(4-hexyloxy-phenyl)-7-(hydroxy-diphenyl-methyl)-benzo[1,2-b;4,5-b']dithiophen-3-yl]-diphenyl-methanol 在 硫酸 作用下， 以 溶剂黄146 为溶剂， 以63%的产率得到8,21-Dihexoxy-5,5,18,18-tetraphenyl-13,26-dithiaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1(16),2,4(12),6(11),7,9,14,17(25),19(24),20,22-undecaene
  参考文献：
  名称：

  Linear C2-symmetric polycyclic benzodithiophene: efficient, highly diversified approaches and the optical properties

  摘要：

  Two facile approaches to two new series of the seven-rings fused benzodithiophene-based polycyclic aromatics are developed in good yields. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.09.107
• 作为产物：
  描述：

  1,4-二溴苯 在 正丁基锂 、 硫酸 、 碘 、 叔丁基锂 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 生成 [2,6-Bis-(4-hexyloxy-phenyl)-7-(hydroxy-diphenyl-methyl)-benzo[1,2-b;4,5-b']dithiophen-3-yl]-diphenyl-methanol
  参考文献：
  名称：

  Linear C2-symmetric polycyclic benzodithiophene: efficient, highly diversified approaches and the optical properties

  摘要：

  Two facile approaches to two new series of the seven-rings fused benzodithiophene-based polycyclic aromatics are developed in good yields. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.09.107

文献信息

• Linear C2-symmetric polycyclic benzodithiophene: efficient, highly diversified approaches and the optical properties
  作者：Cui-Hua Wang、Rong-Rong Hu、Shuang Liang、Jia-Hua Chen、Zhen Yang、Jian Pei

  DOI：10.1016/j.tetlet.2005.09.107

  日期：2005.11

  Two facile approaches to two new series of the seven-rings fused benzodithiophene-based polycyclic aromatics are developed in good yields. (c) 2005 Elsevier Ltd. All rights reserved.