5-Chloro-2-(4-decoxyphenyl)-1,3-benzoxazole | 1621994-69-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-Chloro-2-(4-decoxyphenyl)-1,3-benzoxazole
• 英文别名: 5-chloro-2-(4-decoxyphenyl)-1,3-benzoxazole
• CAS: 1621994-69-1
• 化学式: C₂₃H₂₈ClNO₂
• 分子量: 385.934
• InChiKey: VCCDYNMKMSKUND-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  27
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  35.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-癸氧基苯甲醛 在 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 乙醇 、 氯仿 为溶剂， 生成 5-Chloro-2-(4-decoxyphenyl)-1,3-benzoxazole
  参考文献：
  名称：

  New Mesogenic Compounds Containing a Terminal-Substituted Benzoxazole Unit

  摘要：

  A series of novel mesogenic 2-(4-alkoxyphenyl-1-yl)-benzoxazole derivatives bearing different substituents (H, NO2, CH3, Cl, coded as nPB-H, nPB-N, nPB-M, and nPB-C, respectively) at the 5-position were prepared and characterized. nPB-N, nPB-M, and nPB-C exhibited enantiotropic smectic mesophases with the mesophase ranges 3 degrees C-32 degrees C and 3 degrees C-82 degrees C on heating and cooling processes, whereas nPB-H showed no mesophases. The substituents with the stronger electron withdrawing effect let to the wider mesomorphic temperature domain. The nPB-M, nPB-C, and nPB-H displayed intense emission in CH2Cl2 solutions with lambda(max) peaks of the photoluminescence spectra at 350-355nm when excited at their absorption maxima.

  DOI：

  10.1080/15421406.2013.837997

文献信息

• New Mesogenic Compounds Containing a Terminal-Substituted Benzoxazole Unit
  作者：Pei Chen、Yiwei Xu、Weisong Du、Guangping Zhang、Xinbing Chen、Zhongwei An

  DOI：10.1080/15421406.2013.837997

  日期：2014.3.24

  A series of novel mesogenic 2-(4-alkoxyphenyl-1-yl)-benzoxazole derivatives bearing different substituents (H, NO2, CH3, Cl, coded as nPB-H, nPB-N, nPB-M, and nPB-C, respectively) at the 5-position were prepared and characterized. nPB-N, nPB-M, and nPB-C exhibited enantiotropic smectic mesophases with the mesophase ranges 3 degrees C-32 degrees C and 3 degrees C-82 degrees C on heating and cooling processes, whereas nPB-H showed no mesophases. The substituents with the stronger electron withdrawing effect let to the wider mesomorphic temperature domain. The nPB-M, nPB-C, and nPB-H displayed intense emission in CH2Cl2 solutions with lambda(max) peaks of the photoluminescence spectra at 350-355nm when excited at their absorption maxima.