5-(4-Propoxyphenyl)-1,3,4-thiadiazol-2-amine | 299936-27-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5-(4-Propoxyphenyl)-1,3,4-thiadiazol-2-amine
• CAS: 299936-27-9
• 化学式: C₁₁H₁₃N₃OS
• mdl: MFCD02032692
• 分子量: 235.31
• InChiKey: ACRFARYXBALTIF-UHFFFAOYSA-N

物化性质

• 沸点：
  410.0±47.0 °C(Predicted)
• 密度：
  1.238±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  89.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  对羟基苯甲酸 在 potassium hydroxide 、 三氯氧磷 作用下， 以 甲醇 为溶剂， 反应 12.0h， 生成 5-(4-Propoxyphenyl)-1,3,4-thiadiazol-2-amine
  参考文献：
  名称：

  Synthesis and Mesomorphic Properties of New Columnar Liquid Crystal Containing 1,3,5-triiminebenzene with Pendant 1,3,4-thiadiazole Group

  摘要：

  A novel discotic liquid crystal series based on 1,3,5-benzenetrisazomethine derivatives with three pendant 2-amino-5-(4'-n-alkoxy) phenyl-1,3,4-thiadiazole has been synthesized, which is the first columnar molecules containing 1,3,4-thiadiazole moiety exhibiting a discotic liquid crystal. The molecular structure of compounds was confirmed by FT-IR, H-1-NMR, and mass spectroscopy and elemental analysis. The electron excitation properties of these compounds were investigated by UV-vis absorption spectroscopy. Their liquid crystalline properties were studied by polarizing optical microscopy and differential scanning calorimetry. The formation of a columnar mesophase was found to be dependent on the number of methylene unit in alkoxy side chains.

  DOI：

  10.1080/15421406.2013.864546

文献信息

• Synthesis and Mesomorphic Properties of New Columnar Liquid Crystal Containing 1,3,5-triiminebenzene with Pendant 1,3,4-thiadiazole Group
  作者：Mustafa K. S. Al-Malki、Ayad S. Hameed、Ammar H. Al-Dujaili

  DOI：10.1080/15421406.2013.864546

  日期：2014.4.13

  A novel discotic liquid crystal series based on 1,3,5-benzenetrisazomethine derivatives with three pendant 2-amino-5-(4'-n-alkoxy) phenyl-1,3,4-thiadiazole has been synthesized, which is the first columnar molecules containing 1,3,4-thiadiazole moiety exhibiting a discotic liquid crystal. The molecular structure of compounds was confirmed by FT-IR, H-1-NMR, and mass spectroscopy and elemental analysis. The electron excitation properties of these compounds were investigated by UV-vis absorption spectroscopy. Their liquid crystalline properties were studied by polarizing optical microscopy and differential scanning calorimetry. The formation of a columnar mesophase was found to be dependent on the number of methylene unit in alkoxy side chains.