N,N'-di(4'-pentyloxybenzoate)salicylidene-1,8-diamino-3,6-dioxaoctane | 1007838-29-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: N,N'-di(4'-pentyloxybenzoate)salicylidene-1,8-diamino-3,6-dioxaoctane
• 英文别名: [3-Hydroxy-4-[2-[2-[2-[[2-hydroxy-4-(4-pentoxybenzoyl)oxyphenyl]methylideneamino]ethoxy]ethoxy]ethyliminomethyl]phenyl] 4-pentoxybenzoate
• CAS: 1007838-29-0
• 化学式: C₄₄H₅₂N₂O₁₀
• 分子量: 768.904
• InChiKey: AQHUAWKIYMEFMW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.1
• 重原子数：
  56
• 可旋转键数：
  27
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  155
• 氢给体数：
  2
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  N,N'-di(4'-pentyloxybenzoate)salicylidene-1,8-diamino-3,6-dioxaoctane 、 zinc(II) acetate dihydrate 以 乙醇 、 二氯甲烷 为溶剂， 以82%的产率得到Zn(N,N'-di(4'-pentyloxybenzoate)salicylidenate-1,8-diamino-3,6-dioxaoctane)
  参考文献：
  名称：

  Synthesis and spectral studies of the mesogenic Schiff-base, N,N′-di-(4′-pentyloxybenzoate) salicylidene-1,8-diamino-3,6-dioxaoctane and crystal structure of the Zn(II) complex

  摘要：

  A novel Schiff-base, N,N'-di-(4'-pentyloxybenzoate)salicylidene-1,8-diamino-3,6-dioxaoctane (H2L4) with the mesogenic phase, nematic droplets, was prepared and its structure studied by elemental analyses and mass, NMR and IR spectra. The di-negative tetra-dentate bonding of the Schiff-base in the non-mesogenic complex, [ZnL4], as implied on the basis of IR and NMR spectral data, was confirmed in the crystal structure of the monomeric tetrahedral Zn(II) complex. As per the crystal structure of the complex, the dinegative species of the ligand, L-4(2-), coordinates to the Zn(II) ion through two phenolate oxygens and two azomethine nitrogens, rendering the overall geometry around Zn(II) to distorted tetrahedron. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2007.09.002