methyl 4-(5'-chlorosalicylhydrazinocarbonyl)butyrate | 1360595-53-4

• 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: methyl 4-(5'-chlorosalicylhydrazinocarbonyl)butyrate
• 英文别名: Methyl 5-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-5-oxopentanoate；methyl 5-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-5-oxopentanoate
• CAS: 1360595-53-4
• 化学式: C₁₃H₁₅ClN₂O₅
• 分子量: 314.726
• InChiKey: BZONGIPPACOGGW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  105
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  甲醇 、 4-(5'-chlorosalicylhydrazinocarbonyl)butyric acid 在 吡啶 、 iron(III) chloride hexahydrate 、 盐酸 、 tin(II) chloride dihdyrate 作用下， 反应 10.0h， 生成 methyl 4-(5'-chlorosalicylhydrazinocarbonyl)butyrate
  参考文献：
  名称：

  Esterification of the ligand: Synthesis, characterization and crystal structure of a iron(III) 18-metallacrown-6 complex with methyl 4-(5′-chlorosalicylhydrazinocarbonyl) butyrate

  摘要：

  The multidentate ligand, 4-(5'-chlorosalicylhydrazinocarbonyl) butyric acid, has been synthesized and reacted with FeCl3 to produce the iron(III) 18-metallacrown-6 complex [Fe-6(III)(C13H12N2O5Cl)(6)(CH3OH)(6)]center dot 5CH(3)OH. In the complex the ligand 4-(5'-chlorosalicylhydrazinocarbonyl) butyric acid was esterified and transferred into methyl 4-(5'-chlorosalicylhydrazinocarbonyl) butyrate. In the crystal structure, the hexanuclear 18-membered rings of iron atoms are linked by six hydrazide N-N groups. The deprotonated and esterified ligand acts as a trianionic pentadentate ligand, one phenolate oxygen, one hydrazide nitrogen and one carbonyl oxygen in the ligand are bound to one Fe3+ cation, and the other carbonyl oxygen plus the other hydrazide nitrogen in the same ligand are chelated to an adjacent Fe3+ cation. In hydrochloric acid the metallacrown [Fe-6(III)(C13H12N2O5Cl)(6)(CH3OH)(6)]center dot 5CH(3)OH can be treated with SnCl2 to obtain purified ester methyl 4-(5'-chlorosalicylhydrazinocarbonyl) butyrate. (C) 2011 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.10.021

文献信息

• Esterification of the ligand: Synthesis, characterization and crystal structure of a iron(III) 18-metallacrown-6 complex with methyl 4-(5′-chlorosalicylhydrazinocarbonyl) butyrate
  作者：Cheng-Zhi Jin、Shu-Xiang Wu、Long-Fei Jin、La-Mei Wu、Jian Zhang

  DOI：10.1016/j.ica.2011.10.021

  日期：2012.3

  The multidentate ligand, 4-(5'-chlorosalicylhydrazinocarbonyl) butyric acid, has been synthesized and reacted with FeCl3 to produce the iron(III) 18-metallacrown-6 complex [Fe-6(III)(C13H12N2O5Cl)(6)(CH3OH)(6)]center dot 5CH(3)OH. In the complex the ligand 4-(5'-chlorosalicylhydrazinocarbonyl) butyric acid was esterified and transferred into methyl 4-(5'-chlorosalicylhydrazinocarbonyl) butyrate. In the crystal structure, the hexanuclear 18-membered rings of iron atoms are linked by six hydrazide N-N groups. The deprotonated and esterified ligand acts as a trianionic pentadentate ligand, one phenolate oxygen, one hydrazide nitrogen and one carbonyl oxygen in the ligand are bound to one Fe3+ cation, and the other carbonyl oxygen plus the other hydrazide nitrogen in the same ligand are chelated to an adjacent Fe3+ cation. In hydrochloric acid the metallacrown [Fe-6(III)(C13H12N2O5Cl)(6)(CH3OH)(6)]center dot 5CH(3)OH can be treated with SnCl2 to obtain purified ester methyl 4-(5'-chlorosalicylhydrazinocarbonyl) butyrate. (C) 2011 Elsevier B. V. All rights reserved.