[4-[2-[4-(3,4-Didodecoxybenzoyl)oxyphenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]phenyl] 3,4-didodecoxybenzoate | 1630946-05-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: [4-[2-[4-(3,4-Didodecoxybenzoyl)oxyphenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]phenyl] 3,4-didodecoxybenzoate
• 英文别名: [4-[2-[4-(3,4-didodecoxybenzoyl)oxyphenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]phenyl] 3,4-didodecoxybenzoate
• CAS: 1630946-05-2
• 化学式: C₈₂H₁₁₆N₂O₈S₂
• 分子量: 1321.96
• InChiKey: UDAZUCOAGLQWFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  31.2
• 重原子数：
  94
• 可旋转键数：
  56
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  172
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  4,4'-(benzo[1,2-d:4,5-d']bis(thiazole)-2,6-diyl)diphenol 、 3,4-bis(dodecanyloxy)benzoyl chloride 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 四氢呋喃 、 N-甲基吡咯烷酮 为溶剂， 反应 48.0h， 以40%的产率得到[4-[2-[4-(3,4-Didodecoxybenzoyl)oxyphenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]phenyl] 3,4-didodecoxybenzoate
  参考文献：
  名称：

  Synthesis of new benzobisthiazole materials and a study of their mesomorphic and luminescence properties

  摘要：

  Novel tetra- and hexacatenar materials based on benzobisthiazole derivatives have been synthesised (4a-c, 5a-c and 6a-c) and their mesomorphic properties have been studied by differential scanning calorimetry, polarised optical microscopy and X-ray diffraction. All compounds in series 4a-c display an enantiotropic hexagonal columnar phase, whereas their analogous compounds in series 5a-c did not show mesomorphic behaviour. Compound 6a displays an unidentified monotropic columnar phase, whereas compounds 6b and 6c show an enantiotropic rectangular columnar mesophase. The mesomorphic properties were found to be dependent on the length, position and number of alkoxy chains attached at the end of the rigid core. These compounds also show photoluminescence properties in the visible region and have good quantum yields. A thermogravimetric analysis was also performed.

  DOI：

  10.1080/10610278.2013.844809

文献信息

• Synthesis of new benzobisthiazole materials and a study of their mesomorphic and luminescence properties
  作者：J. Barberá、E.W. Díaz、M.R. Dahrouch、E.Y. Elgueta、M.L. Parra

  DOI：10.1080/10610278.2013.844809

  日期：2014.6.3

  Novel tetra- and hexacatenar materials based on benzobisthiazole derivatives have been synthesised (4a-c, 5a-c and 6a-c) and their mesomorphic properties have been studied by differential scanning calorimetry, polarised optical microscopy and X-ray diffraction. All compounds in series 4a-c display an enantiotropic hexagonal columnar phase, whereas their analogous compounds in series 5a-c did not show mesomorphic behaviour. Compound 6a displays an unidentified monotropic columnar phase, whereas compounds 6b and 6c show an enantiotropic rectangular columnar mesophase. The mesomorphic properties were found to be dependent on the length, position and number of alkoxy chains attached at the end of the rigid core. These compounds also show photoluminescence properties in the visible region and have good quantum yields. A thermogravimetric analysis was also performed.