4-n-pentoxyphenylboronic acid cyclic anhydride | 289706-67-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-n-pentoxyphenylboronic acid cyclic anhydride
• 英文别名: 2,4,6-Tris(4-pentoxyphenyl)-1,3,5,2,4,6-trioxatriborinane
• CAS: 289706-67-8
• 化学式: C₃₃H₄₅B₃O₆
• 分子量: 570.15
• InChiKey: MKAHIHAJDMLZKX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.94
• 重原子数：
  42
• 可旋转键数：
  18
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  55.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  乙二醇 、 4-n-pentoxyphenylboronic acid cyclic anhydride 以 甲苯 为溶剂， 生成 4-正戊氧基苯硼酸乙二醇酯
  参考文献：
  名称：

  VERFAHREN ZUR HERSTELLUNG VON (1,1':4',1'')-TERPHENYLVEBINDUNGEN

  摘要：

  公开号：

  EP1156997B1
• 作为产物：
  描述：

  4-正戊氧基溴苯 在 正丁基锂 、 硼酸三甲酯 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 生成 4-戊氧基苯硼酸 、 4-n-pentoxyphenylboronic acid cyclic anhydride
  参考文献：
  名称：

  The X-Ray Crystal Structures and Computational Analysis of NH…π Hydrogen Bonded Banana-Shaped Carbazole Derivatives and Thermal Analysis of Higher Mesogenic Homologues

  摘要：

  The synthesis of a series of banana-shaped mesogenic structures has been carried out, in which the bend unit is formed by the 3,6-substitution of carbazole by 4-alkoxyphenyl moieties. The crystal structures of the methoxy and propyloxy derivatives are reported with an analysis of the N-H...pi interactions that are observed in the crystalline state. This analysis was aided by semi-empirical molecular orbital calculations. Additionally, the thermal analysis of the complete series has been carried out in order to investigate the phase properties of these materials. The 4-nonyloxyphenyl derivative displays two melting points by DSC and normal light microscopy, but yields non-birefringent liquids. The incorporation of photorefractive molecular units, such as carbazole. into anisotropic materials may offer many advantages over conventional electrical poling of photorefractive polymers.

  DOI：

  10.1080/10587250108030006

文献信息

• TOWARD BORONATE ESTER MESOGENIC STRUCTURES
  作者：Maura Belloni、M. Manickam、Zehn-He Wang、Jon A. Preece

  DOI：10.1080/15421400390223158

  日期：2003.1.1

  This article describes efforts toward the development of a new core for calamitic mesogens based upon the introduction of an extended heteroaromatic boron-containing ring. A series of tri-catenar mesogenic boronate ester derivatives of the 2-phenyl-1,3,2-benzodioxaborole has been synthesized and characterized. The flat central core appeared to be a suitable feature for these derivatives to support anisotropic alignment. Additionally, these derivatives should possess an inherent dipole in the core. However, thermal analysis (polarized optical microscopy and differential scanning calorimetry) did not reveal any mesophases.