2-[N-[3-[[(2-hydroxy-4-methoxyphenyl)-phenylmethylidene]amino]propyl]-C-phenylcarbonimidoyl]-5-methoxyphenol | 74475-16-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-[N-[3-[[(2-hydroxy-4-methoxyphenyl)-phenylmethylidene]amino]propyl]-C-phenylcarbonimidoyl]-5-methoxyphenol
• CAS: 74475-16-4
• 化学式: C₃₁H₃₀N₂O₄
• 分子量: 494.59
• InChiKey: FGNKLWCCKMQOHK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  37
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  83.6
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  iron(III) chloride hexahydrate 、 2-[N-[3-[[(2-hydroxy-4-methoxyphenyl)-phenylmethylidene]amino]propyl]-C-phenylcarbonimidoyl]-5-methoxyphenol 以 甲醇 、 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Dinjus, U.; Stahl, H.; Uhlig, E., Zeitschrift fur Anorganische und Allgemeine Chemie

  摘要：

  DOI：
• 作为产物：
  描述：

  紫外线吸收剂UV-9 、 1,3-丙二胺 以 甲醇 为溶剂， 反应 4.0h， 以65%的产率得到2-[N-[3-[[(2-hydroxy-4-methoxyphenyl)-phenylmethylidene]amino]propyl]-C-phenylcarbonimidoyl]-5-methoxyphenol
  参考文献：
  名称：

  Metal-ion directed synthesis of N2O2 type chelate complexes of Ni(II), Cu(II) and Zn(II): Spectral, thermal and single crystal studies

  摘要：

  A set of Ni(II), Cu(II) and Zn(II) complexes of Schiff base have been synthesized by one pot condensation reaction of 2-hydroxy-4-methoxybenzophenone with 1,3-diaminopropane in 1:2:1 molar ratio. They have been characterized by elemental analysis, conductance measurement, thermal analysis (TGA/DTA), FT-IR, H-1-NMR, EPR spectra, ESI-MS and electronic spectral studies. In order to establish the geometry, a single crystal X-ray structure for [Ni(L)] complex was determined. It crystallizes in monoclinic system having unit cell parameters a = 14.015(5) angstrom, b = 13.391(5) angstrom, c = 14.931(5) angstrom and alpha = 90.000(5)degrees, beta = 112.237(5)degrees, gamma = 90.000(5)degrees with P 2(1)/c space group. No pi-pi stacking interaction was obtained in molecular packing diagram. A square-planar geometry has been confirmed for Ni(II) complex. Furthermore, on the basis of elemental analysis, IR, UV-visible and EPR data a square-planar geometry for Cu(II) and a distorted octahedral geometry for the Zn(II) complex has been established. In case of Zn(II) complex NO3- group was found to be coordinated in monodentate fashion. The low molar conductivity values of the complexes measured in chloroform and DMSO suggest their non-ionic nature. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2012.08.004