2-(4-Tetradecoxyphenyl)-1,3-benzothiazole | 1246016-46-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 2-(4-Tetradecoxyphenyl)-1,3-benzothiazole
• 英文别名: 2-(4-tetradecoxyphenyl)-1,3-benzothiazole
• CAS: 1246016-46-5
• 化学式: C₂₇H₃₇NOS
• 分子量: 423.663
• InChiKey: MLMXFLGIRNSWGG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.9
• 重原子数：
  30
• 可旋转键数：
  15
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  50.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  对羟基苯甲醛 在 potassium iodide 、 potassium hydroxide 作用下， 以 乙醇 、 水 、 丙酮 为溶剂， 反应 27.0h， 生成 2-(4-Tetradecoxyphenyl)-1,3-benzothiazole
  参考文献：
  名称：

  Synthesis and Mesomorphic Properties of 2-(4-Alkyloxyphenyl)benzothiazoles

  摘要：

  A homologous series of 2-(4-alkyloxyphenyl)benzothiazoles with an even number of carbons in the terminal alkoxyl chain was synthesized and characterized. The structure of the compounds was postulated using elemental analyses, FT-IR, NMR, and mass spectrometry techniques. Their liquid crystalline properties have been investigated by optical polarizing microscopy, DSC, and X-ray diffraction (XRD) techniques. Whilst the n-octyloxy to n-hexadecyloxy derivatives exhibited a monotropic smectic A phase, the n-ethoxy to n-hexyloxy and the n-octadecyloxy derivatives were not mesogenic. The mesomorphic properties of the present series were compared with other structurally related series to establish the chemical structure-mesomorphic properties relationship.

  DOI：

  10.1080/15421400902987347

文献信息

• Synthesis and Mesomorphic Properties of 2-(4-Alkyloxyphenyl)benzothiazoles
  作者：Sie-Tiong Ha、Teck-Ming Koh、Guan-Yeow Yeap、Hong-Cheu Lin、Peng-Lim Boey、Yip-Foo Win、Siew-Teng Ong、Lay-Khoon Ong

  DOI：10.1080/15421400902987347

  日期：2009.8.6

  A homologous series of 2-(4-alkyloxyphenyl)benzothiazoles with an even number of carbons in the terminal alkoxyl chain was synthesized and characterized. The structure of the compounds was postulated using elemental analyses, FT-IR, NMR, and mass spectrometry techniques. Their liquid crystalline properties have been investigated by optical polarizing microscopy, DSC, and X-ray diffraction (XRD) techniques. Whilst the n-octyloxy to n-hexadecyloxy derivatives exhibited a monotropic smectic A phase, the n-ethoxy to n-hexyloxy and the n-octadecyloxy derivatives were not mesogenic. The mesomorphic properties of the present series were compared with other structurally related series to establish the chemical structure-mesomorphic properties relationship.