1,8-diethynyl-3,6-bis(2,6-dioctyloxyphenylethynyl)carbazole | 1444561-80-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 1,8-diethynyl-3,6-bis(2,6-dioctyloxyphenylethynyl)carbazole
• CAS: 1444561-80-1
• 化学式: C₆₄H₈₁NO₄
• 分子量: 928.351
• InChiKey: JSRGDZAQPQDXBL-UHFFFAOYSA-N

物化性质

• 沸点：
  972.3±65.0 °C(predicted)
• 密度：
  1.08±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  17.04
• 重原子数：
  69.0
• 可旋转键数：
  32.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  52.71
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  1,8-diethynyl-3,6-bis(2,6-dioctyloxyphenylethynyl)carbazole 在 吡啶 、 copper diacetate 作用下， 以 甲苯 为溶剂， 反应 60.0h， 以55%的产率得到6,15,23,32-Tetrakis[2-(2,6-dioctoxyphenyl)ethynyl]-2,19-diazaheptacyclo[28.4.0.03,8.04,34.013,18.017,21.020,25]tetratriaconta-1(30),3(8),4,6,13(18),14,16,20(25),21,23,31,33-dodecaen-9,11,26,28-tetrayne
  参考文献：
  名称：

  Effective π-Extension of Carbazole-Based Thiaporphyrins by Peripheral Phenylethynyl Substituents

  摘要：

  Several tetrakis(phenylethynyl)- and (phenylethynylphenylethynyl)-substituted carbazole-based thiaporphyrins were synthesized. These pi-extended porphyrins display remarkably intensified and red-shifted absorption bands in the NIR region up to 1126 nm due to perturbation by the phenylethynyl substituents.

  DOI：

  10.1021/ol401403n
• 作为产物：
  描述：

  3,6-bis(2,6-dioctyloxyphenylethynyl)-1,8-bis(trimethylsilylethynyl)carbazole 在 四丁基溴化铵 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 0.17h， 以74%的产率得到1,8-diethynyl-3,6-bis(2,6-dioctyloxyphenylethynyl)carbazole
  参考文献：
  名称：

  Effective π-Extension of Carbazole-Based Thiaporphyrins by Peripheral Phenylethynyl Substituents

  摘要：

  Several tetrakis(phenylethynyl)- and (phenylethynylphenylethynyl)-substituted carbazole-based thiaporphyrins were synthesized. These pi-extended porphyrins display remarkably intensified and red-shifted absorption bands in the NIR region up to 1126 nm due to perturbation by the phenylethynyl substituents.

  DOI：

  10.1021/ol401403n