[(4-Hexoxyphenyl)methylideneamino]thiourea | 342378-36-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: [(4-Hexoxyphenyl)methylideneamino]thiourea
• CAS: 342378-36-3
• 化学式: C₁₄H₂₁N₃OS
• 分子量: 279.406
• InChiKey: DCMWDGWVNSYRGF-UHFFFAOYSA-N

物化性质

• 沸点：
  417.1±47.0 °C(Predicted)
• 密度：
  1.11±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  19
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  91.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [(4-Hexoxyphenyl)methylideneamino]thiourea 在 三氯化铁 作用下， 以 乙醇 为溶剂， 反应 7.0h， 生成 2-[[5-(4-Hexoxyphenyl)-1,3,4-thiadiazol-2-yl]iminomethyl]-5-octoxyphenol
  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：

  对羟基苯甲醛 、 alkaline earth salt of/the/ methylsulfuric acid 在 potassium carbonate 作用下， 以 乙醇 、 环己酮 为溶剂， 生成 [(4-Hexoxyphenyl)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

文献信息

• Synthesis and Properties of Schiff's Bases Derived from 1,3,4-Thiadiazole as a Mesogenic Unit
  作者：Yan Xu、Wanfang Lu、Zihou Tai

  DOI：10.1080/10587250008025240

  日期：2000.10.1

  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.