2-Iodo-3,6,7,10,11-pentapentoxytriphenylene | 1036023-59-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 2-Iodo-3,6,7,10,11-pentapentoxytriphenylene
• CAS: 1036023-59-2
• 化学式: C₄₃H₆₁IO₅
• 分子量: 784.859
• InChiKey: NTUKORFBCNGRAR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.3
• 重原子数：
  49
• 可旋转键数：
  25
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  46.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-Iodo-3,6,7,10,11-pentapentoxytriphenylene 、 2-Ethynyl-3,6,7,10,11-pentakis-pentyloxy-triphenylene 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 36.0h， 以30%的产率得到2-[2-(3,6,7,10,11-Pentapentoxytriphenylen-2-yl)ethynyl]-3,6,7,10,11-pentapentoxytriphenylene
  参考文献：
  名称：

  π-Conjugated Triphenylene Twins Exhibiting Polymesomorphism Including the Nematic Phase

  摘要：

  Novel discotic liquid crystals possessing two triphenylene (TP) mesogenic cores covalently connected via a rigid spacer, i.e., -conjugated ethynyl- or butadiynyl-bridge, (TP twins) are reported. The TP twins are categorized by the lengths of -substituted chains (R2 and R3) and peripheral alkoxy or branched aliphatic chains (R1 and R4). Three varieties of TP twins are prepared: A) TP twins having identical -substituted and peripheral chains (R1=R2=R3=R4), B) equivalent TP entities having a -substituted chain (R2=R3) and peripheral chains (R1=R4) of different length from the substitution, and C) TP twins with different TP entities having the same -substituted and peripheral alkoxy chains (R1=R2, R3=R4). The phase behavior is characterized by differential scanning calorimetry (DSC), polarizing optical microscopy (POM) and X-ray diffraction (XRD) studies. These TP twins exhibit a discotic nematic (N) and/or columnar rectangular (Colr) mesophases over a wide temperature range. We found that the relative length of rigid spacer and -substituted alkoxy chains play an important role in the creation of the molecular self-assembly and formation of the mesophases. To the best of our knowledge, this is the first report of TP twins exhibiting polymesomorphism.

  DOI：

  10.1080/15421400902987677
• 作为产物：
  描述：

  (2-iodo-phenyl)-pentyl ether 、 4-(3,4-二戊氧基苯基)-1,2-二戊氧基苯 在 五氯化钼 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 2-Iodo-3,6,7,10,11-pentapentoxytriphenylene
  参考文献：
  名称：

  π-Conjugated Triphenylene Twins Exhibiting Polymesomorphism Including the Nematic Phase

  摘要：

  Novel discotic liquid crystals possessing two triphenylene (TP) mesogenic cores covalently connected via a rigid spacer, i.e., -conjugated ethynyl- or butadiynyl-bridge, (TP twins) are reported. The TP twins are categorized by the lengths of -substituted chains (R2 and R3) and peripheral alkoxy or branched aliphatic chains (R1 and R4). Three varieties of TP twins are prepared: A) TP twins having identical -substituted and peripheral chains (R1=R2=R3=R4), B) equivalent TP entities having a -substituted chain (R2=R3) and peripheral chains (R1=R4) of different length from the substitution, and C) TP twins with different TP entities having the same -substituted and peripheral alkoxy chains (R1=R2, R3=R4). The phase behavior is characterized by differential scanning calorimetry (DSC), polarizing optical microscopy (POM) and X-ray diffraction (XRD) studies. These TP twins exhibit a discotic nematic (N) and/or columnar rectangular (Colr) mesophases over a wide temperature range. We found that the relative length of rigid spacer and -substituted alkoxy chains play an important role in the creation of the molecular self-assembly and formation of the mesophases. To the best of our knowledge, this is the first report of TP twins exhibiting polymesomorphism.

  DOI：

  10.1080/15421400902987677