1-N,3-N-bis(2-aminophenyl)-2-hydroxy-5-methylbenzene-1,3-dicarboxamide | 216979-58-7

• 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: 1-N,3-N-bis(2-aminophenyl)-2-hydroxy-5-methylbenzene-1,3-dicarboxamide
• CAS: 216979-58-7
• 化学式: C₂₁H₂₀N₄O₃
• 分子量: 376.415
• InChiKey: LFZCAQVGJPEHGO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  131
• 氢给体数：
  5
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-N,3-N-bis(2-aminophenyl)-2-hydroxy-5-methylbenzene-1,3-dicarboxamide 、 Cu(OTf)2 在 sodium hydroxide 作用下， 以 水 为溶剂， 以91%的产率得到
  参考文献：
  名称：

  Binuclear nickel(II) and copper(II) complexes of amide-containing two-armed and macrocyclic ligands

  摘要：

  Two new acyclic, potentially binucleating amide-containing ligands, H(3)L1 and H(3)L2, have been synthesised from the reaction of 4-methylphenol-2,6-diacyl chloride with an excess of 1,2-diaminobenzene or of 1,2-diamino-4,5-dimethylbenzene, respectively. Dicopper(II) complexes, [Cu-2(L1)(X)] where X = CH3COO- or OH-, have been made from H(3)L1 but the analogous nickel complexes could not be prepared and no complexes with either copper or nickel could be prepared from H(3)L2. Interestingly, Schiff-base macrocyclic complexes derived from reactions of H(3)L1 and H(3)L2 with 2,6-diformyl-4-methylphenol, 4-t-butyl-2,6-diformylphenol, or S-(2,6-diformyl-3-methylphenyl) -dimethylthiocarbamate, were successfully templated using these same two metal ions and resulted in the isolation of nine dimetallic complexes. A variety of structural modifications were made to the macrocycles via the choice of dialdehyde precursor, including changing a phenolate bridge for a thiophenolate one, in an attempt to increase the solubility of the products. (C) 1998 Elsevier Science S.A, All rights reserved.

  DOI：

  10.1016/s0020-1693(98)00240-0