N-acetyl-3-methyl-salicylhydrazide | 540778-28-7

• 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: N-acetyl-3-methyl-salicylhydrazide
• 英文别名: H3amshz；N'-acetyl-2-hydroxy-3-methylbenzohydrazide
• CAS: 540778-28-7
• 化学式: C₁₀H₁₂N₂O₃
• mdl: MFCD24388816
• 分子量: 208.217
• InChiKey: DIYZLKTXNSEXTP-UHFFFAOYSA-N

物化性质

• 沸点：
  495.3±45.0 °C(Predicted)
• 密度：
  1.247±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  78.4
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  甲醇 、 N-acetyl-3-methyl-salicylhydrazide 、 manganese (II) acetate tetrahydrate 以 甲醇 为溶剂， 生成 [Mn6(N-acetyl-3-methyl-salocylhydrazide)6(CH3OH)6]*6H2O
  参考文献：
  名称：

  Novel 18-membered hexanuclear metallamacrocycle: Synthesis, crystal structure, and magnetic properties

  摘要：

  The novel 18-metallacrown-6 metallamacrocycle. with the formula of [Mn-6(amshz)(6)(CH3OH)(6)]center dot 6H(2)O (amshz = N-acetyl-3-methyl-salicylhydrazide), has been prepared and characterized. Six Mn(III) ions and six deprotonated N-acetyl-3-methyl-salicylhydrazide (amshz(3-)) ligands construct a planar 18-membered ring based on Mn-N-N-Mn linkage. Due to the coordination, the ligand enforces the stereochemistry of the Mn3+ ions as a propeller shape with alternating ...Delta Lambda Delta Lambda... configurations. The magnetic properties of the metallacrown molecules are characterized by a weak antiferromagnetic exchange interaction, with mu(eff) = 5.12 mu(B) at 300 K between the Mn3+ ion spins with S = 2 in the cyclic system. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2009.05.025