1,4-dimethoxy-6,7,10,11-tetrakis(hexyloxy)triphenylene | 769954-14-5

• 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: 1,4-dimethoxy-6,7,10,11-tetrakis(hexyloxy)triphenylene
• 英文别名: 6,7,10,11-tetrahexoxy-1,4-dimethoxytriphenylene
• CAS: 769954-14-5
• 化学式: C₄₄H₆₄O₆
• 分子量: 688.989
• InChiKey: FVEZHFHAUYONEC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.0
• 重原子数：
  50.0
• 可旋转键数：
  26.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  55.38
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  1,4-dimethoxy-6,7,10,11-tetrakis(hexyloxy)triphenylene 在 ammonium cerium(IV) nitrate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 2.0h， 以75%的产率得到6,7,10,11-tetrakis(hexyloxy)triphenylene-1,4-dione
  参考文献：
  名称：

  Synthesis and Characterization of Triphenylene-Dione Half-Disc Mesogens

  摘要：

  Novel half-disc mesogens of general structure 6,7,10,11-tetrakis(alkoxy)triphenylene-1,4-dione were synthesized and their phases characterized by polarized microscopy, differential scanning calorimetry and X-ray diffraction. These compounds were found to form hexagonal columnar mesophases upon heating, despite their half-disc molecular shapes. X-ray diffraction suggests that within the mesophases a dimeric mesogenic subunit exists, driven by dipolar forces, in which the molecules are oriented antiparallel to one another. Such a dimer is approximately disc-shaped, and may explain the formation of columnar phases by these half-disc molecules.

  DOI：

  10.1080/15421400490435396
• 作为产物：
  描述：

  1,2-二己氧基苯 在 硫酸 、 碘 、 三氯化铁 、 碘酸 、 铜 作用下， 以 氯仿 、 水 、 溶剂黄146 为溶剂， 反应 5.0h， 生成 1,4-dimethoxy-6,7,10,11-tetrakis(hexyloxy)triphenylene
  参考文献：
  名称：

  Synthesis and Characterization of Triphenylene-Dione Half-Disc Mesogens

  摘要：

  Novel half-disc mesogens of general structure 6,7,10,11-tetrakis(alkoxy)triphenylene-1,4-dione were synthesized and their phases characterized by polarized microscopy, differential scanning calorimetry and X-ray diffraction. These compounds were found to form hexagonal columnar mesophases upon heating, despite their half-disc molecular shapes. X-ray diffraction suggests that within the mesophases a dimeric mesogenic subunit exists, driven by dipolar forces, in which the molecules are oriented antiparallel to one another. Such a dimer is approximately disc-shaped, and may explain the formation of columnar phases by these half-disc molecules.

  DOI：

  10.1080/15421400490435396