2,5-bis[(4-octyloxyphenyl)ethynyl]-4-methylthiazole | 397864-65-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2,5-bis[(4-octyloxyphenyl)ethynyl]-4-methylthiazole
• 英文别名: 4-Methyl-2,5-bis{[4-(octyloxy)phenyl]ethynyl}-1,3-thiazole；4-methyl-2,5-bis[2-(4-octoxyphenyl)ethynyl]-1,3-thiazole
• CAS: 397864-65-2
• 化学式: C₃₆H₄₅NO₂S
• 分子量: 555.825
• InChiKey: CKAKRHOIFBXIHE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.2
• 重原子数：
  40
• 可旋转键数：
  20
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  59.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2,5-二溴-4-甲基噻唑 、 4-octyloxyphenylacetylene 在 copper(l) iodide 、 四(三苯基膦)钯 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 8.0h， 以83%的产率得到2,5-bis[(4-octyloxyphenyl)ethynyl]-4-methylthiazole
  参考文献：
  名称：

  Synthesis of Liquid Crystals with Bent-Rod Structure: 4-Methylthiazole Derivatives with Nematic Phase

  摘要：

  Liquid-crystalline 2,5-diarylethynyl-4-methylthiazole derivatives with bent-rod structures were prepared by a palladium-catalyzed cross-coupling reaction. The 2,5-diarylethynyl-4-methylthiazole derivatives prepared in the present study exhibit only the nematic phase.

  DOI：

  10.1080/10587250108030012

文献信息

• Synthesis of Liquid Crystals with Bent-Rod Structure: 4-Methylthiazole Derivatives with Nematic Phase
  作者：Chi-Han Lee、Takakazu Yamamoto

  DOI：10.1080/10587250108030012

  日期：2001.10.1

  Liquid-crystalline 2,5-diarylethynyl-4-methylthiazole derivatives with bent-rod structures were prepared by a palladium-catalyzed cross-coupling reaction. The 2,5-diarylethynyl-4-methylthiazole derivatives prepared in the present study exhibit only the nematic phase.