[(4-Heptoxyphenyl)methylideneamino]thiourea | 342378-38-5

• 英文名称: [(4-Heptoxyphenyl)methylideneamino]thiourea
• CAS: 342378-38-5
• 化学式: C₁₅H₂₃N₃OS
• 分子量: 293.433
• InChiKey: RUEWPADQOBIGFE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  20.0
• 可旋转键数：
  9.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  59.64
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  [(4-Heptoxyphenyl)methylideneamino]thiourea 在 三氯化铁 作用下， 以 乙醇 为溶剂， 生成 5-(4-Heptyloxy-phenyl)-[1,3,4]thiadiazol-2-ylamine
  参考文献：
  名称：

  Synthesis and Properties of Schiff's Bases Derived from 1,3,4-Thiadiazole as a Mesogenic Unit

  摘要：

  Some new liquid crystalline 2,5-disubstituted 1,3,3-thiadiazole derivatives incorporating a central group (-CH=N-) have been synthesized by treating 2-amino-5-(4-alkoxyphenyl)-1,3.4-thiadiazole with corresponding p-alkoxybenzaldehyde. Their structures have been characterized with Elementary Analysis, IR, (HNMR)-H-1 and MS, and their properties were determined by using DSC and Texture. All 12 compounds are enantiotropic liquid crystals, and most of them exhibit nematic mesomorphism and broad smectic C mesomorphic ranges. Several compounds show only the smectic C mesophase. By introducing an -OH group into the phenyl ring the thermal stability of the mesophases increases due to the formation of a hydrogen bond.

  DOI：

  10.1080/10587250008025240
• 作为产物：
  描述：

  1-溴代庚烷 在 potassium carbonate 作用下， 以 乙醇 、 环己酮 为溶剂， 生成 [(4-Heptoxyphenyl)methylideneamino]thiourea
  参考文献：
  名称：

  Synthesis and Properties of Schiff's Bases Derived from 1,3,4-Thiadiazole as a Mesogenic Unit

  摘要：

  Some new liquid crystalline 2,5-disubstituted 1,3,3-thiadiazole derivatives incorporating a central group (-CH=N-) have been synthesized by treating 2-amino-5-(4-alkoxyphenyl)-1,3.4-thiadiazole with corresponding p-alkoxybenzaldehyde. Their structures have been characterized with Elementary Analysis, IR, (HNMR)-H-1 and MS, and their properties were determined by using DSC and Texture. All 12 compounds are enantiotropic liquid crystals, and most of them exhibit nematic mesomorphism and broad smectic C mesomorphic ranges. Several compounds show only the smectic C mesophase. By introducing an -OH group into the phenyl ring the thermal stability of the mesophases increases due to the formation of a hydrogen bond.

  DOI：

  10.1080/10587250008025240