[3]thienylmethyl-hexamethylenetetraminium; bromide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪烷类
• 英文名称: [3]thienylmethyl-hexamethylenetetraminium; bromide
• 英文别名: [3]Thienylmethyl-hexamethylentetraminium; Bromid；1-(Thiophen-3-ylmethyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane;bromide
• 化学式: Br*C₁₁H₁₇N₄S
• 分子量: 317.253
• InChiKey: WOOPPKHUQXCMLM-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.24
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  38
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  [3]thienylmethyl-hexamethylenetetraminium; bromide 在 水 作用下， 生成 3-噻吩甲醛
  参考文献：
  名称：

  Synthesis and characterization of new nematic liquid crystalline compounds-based thiophene units

  摘要：

  Four new liquid crystalline thiophene compounds (M1-M4) with a long flexible spacer were prepared. Their structures were characterized by Fourier transform infrared and proton nuclear magnetic resonance. The mesomorphism and thermal stability were investigated with differential scanning calorimetry, polarizing optical microscopy, and thermogravimetric analysis. The photo-physical properties were evaluated using ultraviolet/visible spectroscopy and photoluminescence. M1-M4 all showed thermotropic mesogenic properties with excellent thermal stability, and exhibited nematic threaded texture, droplet texture, and Schlieren texture on heating and cooling cycles. The effect of flexible spacer and terminal groups on mesomorphic and spectroscopic property is discussed. The experimental results demonstrated that the tendency toward melting temperature (Tm) decreased, while isotropic temperature (Ti) increased with increasing the flexible spacer length. In CHCl3 solution, these thiophene compounds displayed an intense broad absorption band peaking within 230-340nm and a maximum fluorescent emission wavelength at 426-439nm.

  DOI：

  10.1080/15421406.2015.1044198
• 作为产物：
  描述：

  3-甲基噻吩 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 四氯化碳 、 氯仿 为溶剂， 生成 [3]thienylmethyl-hexamethylenetetraminium; bromide
  参考文献：
  名称：

  Synthesis and characterization of new nematic liquid crystalline compounds-based thiophene units

  摘要：

  Four new liquid crystalline thiophene compounds (M1-M4) with a long flexible spacer were prepared. Their structures were characterized by Fourier transform infrared and proton nuclear magnetic resonance. The mesomorphism and thermal stability were investigated with differential scanning calorimetry, polarizing optical microscopy, and thermogravimetric analysis. The photo-physical properties were evaluated using ultraviolet/visible spectroscopy and photoluminescence. M1-M4 all showed thermotropic mesogenic properties with excellent thermal stability, and exhibited nematic threaded texture, droplet texture, and Schlieren texture on heating and cooling cycles. The effect of flexible spacer and terminal groups on mesomorphic and spectroscopic property is discussed. The experimental results demonstrated that the tendency toward melting temperature (Tm) decreased, while isotropic temperature (Ti) increased with increasing the flexible spacer length. In CHCl3 solution, these thiophene compounds displayed an intense broad absorption band peaking within 230-340nm and a maximum fluorescent emission wavelength at 426-439nm.

  DOI：

  10.1080/15421406.2015.1044198

文献信息

• Synthesis and characterization of new nematic liquid crystalline compounds-based thiophene units
  作者：Ying-Gang Jia、Dong Su、Zhi-Hao Guo、Jian-She Hu

  DOI：10.1080/15421406.2015.1044198

  日期：2016.1.2

  Four new liquid crystalline thiophene compounds (M1-M4) with a long flexible spacer were prepared. Their structures were characterized by Fourier transform infrared and proton nuclear magnetic resonance. The mesomorphism and thermal stability were investigated with differential scanning calorimetry, polarizing optical microscopy, and thermogravimetric analysis. The photo-physical properties were evaluated using ultraviolet/visible spectroscopy and photoluminescence. M1-M4 all showed thermotropic mesogenic properties with excellent thermal stability, and exhibited nematic threaded texture, droplet texture, and Schlieren texture on heating and cooling cycles. The effect of flexible spacer and terminal groups on mesomorphic and spectroscopic property is discussed. The experimental results demonstrated that the tendency toward melting temperature (Tm) decreased, while isotropic temperature (Ti) increased with increasing the flexible spacer length. In CHCl3 solution, these thiophene compounds displayed an intense broad absorption band peaking within 230-340nm and a maximum fluorescent emission wavelength at 426-439nm.