(Z)-3-(5'-chlorosalicylhydrazinocarbonyl) propenoic acid | 1196447-30-9

• 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: (Z)-3-(5'-chlorosalicylhydrazinocarbonyl) propenoic acid
• 英文别名: (Z)-4-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-4-oxobut-2-enoic acid
• CAS: 1196447-30-9
• 化学式: C₁₁H₉ClN₂O₅
• 分子量: 284.656
• InChiKey: FNVJMHBDFOPUNE-ARJAWSKDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  116
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  甲醇 、 iron(III) chloride hexahydrate 、 (Z)-3-(5'-chlorosalicylhydrazinocarbonyl) propenoic acid 在 pyridine 作用下， 以 甲醇 为溶剂， 以34%的产率得到[Fe(III)6((Z)-methyl 3-(5'-chlorosalicylhydrazinocarbonyl) propenoate)6(water)4(methanol)2]*8H2O*4CH3OH
  参考文献：
  名称：

  Synthesis, crystal structure and esterification of a novel iron(III) 18-metallacrown-6 complex

  摘要：

  The trianionic heptadentate ligand, (Z)-3-(5'-chlorosalicylhydrazinocarbonyl) propenoic acid, has been synthesized and reacted with FeCl3 center dot 6H(2)O, to produce the complex [Fe-6(III)(C12H8N2O5Cl)(6)(H2O)(4)(-)( CH3OH)(2)]center dot 8H(2)O center dot 4CH(3)OH. In the self-assembly process the ligand was esterified and transferred into (Z)-methyl 3-(5'-chlorosalicylhydrazinocarbonyl) propenoate. In the crystal structure, the neutral Fe(III) complex contain a 18-membered metallacrown ring consisting of six Fe(III) and six trianionic ligands. The 18-membered metallacrown ring is formed by the succession of six structural moieties of the type [Fe(III)-N-N]. Due to the meridional coordination of the ligands to the Fe3+ ions, the ligands enforce the stereochemistry of the Fe3+ ions as a propeller configuration with alternating Lambda/Delta forms. The metallacrown can be treated with SnCl2 or Zn powder to obtain purified ester. (C) 2009 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2009.06.043