naphthalene-1,7-diyl bis[4-(4-dodecylsulfanylphenyliminomethyl)benzoate] | 1171832-04-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: naphthalene-1,7-diyl bis[4-(4-dodecylsulfanylphenyliminomethyl)benzoate]
• 英文别名: N(1,7)-S12；[8-[4-[(4-Dodecylsulfanylphenyl)iminomethyl]benzoyl]oxynaphthalen-2-yl] 4-[(4-dodecylsulfanylphenyl)iminomethyl]benzoate；[8-[4-[(4-dodecylsulfanylphenyl)iminomethyl]benzoyl]oxynaphthalen-2-yl] 4-[(4-dodecylsulfanylphenyl)iminomethyl]benzoate
• CAS: 1171832-04-4
• 化学式: C₆₂H₇₄N₂O₄S₂
• 分子量: 975.413
• InChiKey: JHXFPXGKZKTSDB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  20.8
• 重原子数：
  70
• 可旋转键数：
  34
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  128
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-乙酰氨基苯硫酚 在 盐酸 、 乙醇 、 potassium carbonate 作用下， 以 CH₃Cl 、 丙酮 为溶剂， 生成 naphthalene-1,7-diyl bis[4-(4-dodecylsulfanylphenyliminomethyl)benzoate]
  参考文献：
  名称：

  Switchable Columnar Phase Formed from Bent-Shaped Molecules with Low Bent-Angle Naphthalene Central Core and Alkylthio Tail

  摘要：

  Novel low-angle bent molecules with 1,7-naphthalene central core and alkylthio tails form the hexagonal columnar phase as well as the well-known B4 phase. The columnar phase has a large two-dimensional hexagonal lattice of 65-70 angstrom and exhibits the antiferroelectric switching with the spontaneous polarization along the column axis. The column is considered to be constructed by the cylindrically enclosed layer.

  DOI：

  10.1080/15421406.2011.581531

文献信息

• Effect of Alkylthio Tail on Phase Behaviors of Bent-shaped Molecules Based on Naphthalene Core
  作者：Xiaodong Li、Seng Kue Lee、Sungmin Kang、Masatoshi Tokita、Susumu Kawauchi、Junji Watanabe

  DOI：10.1246/cl.2009.424

  日期：2009.5.5

  New bent-shaped molecules with naphthalene central core and alkylthio tail are prepared, and their banana phase structures and properties are discussed in comparison with those of conventional alkoxy molecules.

  制备了具有萘中心核和烷基硫醚尾的新型弯曲状分子，并将其香蕉态结构和性质与传统烷氧基分子的相应特性进行了比较讨论。
• Switchable Columnar Phase Formed from Bent-Shaped Molecules with Low Bent-Angle Naphthalene Central Core and Alkylthio Tail
  作者：Sungmin Kang、Xiaodong Li、Susumu Kawauchi、Masatoshi Tokita、Junji Watanabe

  DOI：10.1080/15421406.2011.581531

  日期：2011.10.28

  Novel low-angle bent molecules with 1,7-naphthalene central core and alkylthio tails form the hexagonal columnar phase as well as the well-known B4 phase. The columnar phase has a large two-dimensional hexagonal lattice of 65-70 angstrom and exhibits the antiferroelectric switching with the spontaneous polarization along the column axis. The column is considered to be constructed by the cylindrically enclosed layer.