Zn(N-(2-oxyethyl)-N''-(2-oxybenzyl)-diethylenetriamine) | 356060-19-0

• 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: Zn(N-(2-oxyethyl)-N''-(2-oxybenzyl)-diethylenetriamine)
• 英文别名: zinc;2-[[2-[2-(2-oxidoethylamino)ethylamino]ethylamino]methyl]phenolate
• CAS: 356060-19-0
• 化学式: C₁₃H₂₁N₃O₂Zn
• 分子量: 316.719
• InChiKey: KWYFTPQRZAAHMG-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.61
• 重原子数：
  19
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  82.2
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  zinc perchlorate 、 N-(2-hydroxyethyl)-N''-(2-hydroxybenzyl)-diethylenetriamine trihydrochloride 在 sodium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 以82%的产率得到Zn(N-(2-oxyethyl)-N''-(2-oxybenzyl)-diethylenetriamine)
  参考文献：
  名称：

  SYNTHESES OF A LINEAR PENTADENTATE LIGAND AND ITS ZINC(II) COMPLEX AND ITS PROMOTED HYDROLYSIS OF 4-NITROPHENYL ACETATE

  摘要：

  A linear pentadentate ligand, N-(2-hydroxyethyl)-N "-(2-hydroxy-benzyl)-diethylenetriamine (HL), and its zinc(II) complex were synthesized and characterized by IR spectra, H-1 NMR spectra and elemental analyses. By pH potentiometric titration, protonation constants of HL and stability constants of Zn(II) complexation with HL have been determined at 25 +/- 0.1 degreesC and I = 0.1 mol/L (KNO3). The kinetics of 4-nitrophenyl acetate (NA) hydrolysis catalyzed by the complex was determined spectrophotometrically at 25 +/- 0.1 degreesC and I = 0.1 mol/L (KNO3) in CH3CN (10 % nu/nu) at pH 7.0-9.04 (50 mmol/L buffers), and the second-order rate constants k(c) for NA hydrolysis were obtained. The experimental results indicate that Zn . . . -OR (R = alkyl) is a better nucleophile than Zn . . . -OAr (Ar = aryl). A good catalysis was realized with a k(c) value of 8.5 x 10(-2) mol(-1) . L . s(-1) at pH 9.04.

  DOI：

  10.1081/sim-100002039