bis(3-hydroxy-2-methyl-4-pyronato)zinc(II) | 20455-92-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃
• 英文名称: bis(3-hydroxy-2-methyl-4-pyronato)zinc(II)
• 英文别名: bis(maltolato)zinc(II)；zinc maltolate；[Zn(MalO)2]；Zn(Ma)2；ZINC;2-methyl-4-oxopyran-3-olate
• CAS: 20455-92-9
• 化学式: C₁₂H₁₀O₆Zn
• 分子量: 315.598
• InChiKey: YPMFNYBQUMROLN-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  0.04
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  98.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  bis(3-hydroxy-2-methyl-4-pyronato)zinc(II) 、 四甲基乙二胺 以 乙腈 为溶剂， 以88%的产率得到zinc(II)bis(3-hydroxy-2-methyl-4-pyronato)(N,N,N',N'-tetramethylethylenediamine)
  参考文献：
  名称：

  Annan, Theodore A.; Peppe, Clovis; Tuck, Dennis G., Canadian Journal of Chemistry, 1990, vol. 68, # 9, p. 1598 - 1605

  摘要：

  DOI：
• 作为产物：
  描述：

  麦芽醇 、 锌 以 甲苯 、 乙腈 为溶剂， 以82%的产率得到bis(3-hydroxy-2-methyl-4-pyronato)zinc(II)
  参考文献：
  名称：

  Annan, Theodore A.; Peppe, Clovis; Tuck, Dennis G., Canadian Journal of Chemistry, 1990, vol. 68, # 9, p. 1598 - 1605

  摘要：

  DOI：

文献信息

• Zinc Complexes Supported by Maltolato Ligands: Synthesis, Structure, Solution Behavior, and Application in Ring-Opening Polymerization of Lactides
  作者：Rafał Petrus、Piotr Sobota

  DOI：10.1021/om300321h

  日期：2012.7.9

  A series of novel zinc alkoxides supported by chelating maltolato (MalO; MalOH = maltol) ligands were successfully synthesized and characterized. Reaction of MalOH with ZnEt2 (3:4) gives a trinuclear cluster [Zn-3(Et)(2)(MalO)(4)] (1), which spontaneously disproportionates in solution to mononuclear species [Zn(MalO)(2)] (1a) and [Zn(Et)(MalO)] (1b); (1a) and (1b) form [Zn(MalO)(2)(py)] (2), [Zn(Et)(MalO)(py)] (3), [Zn(MalO)(2)](2) ((1a)(2)), [Zn(MalO)(OBn)](2) ((1c)(2)), and [Zn-4(Et)(2)(OEt)(2)(MalO)(4)] (4) on addition of pyridine, benzyl alcohol (BnOH), or dry O-2, respectively. Compounds 1, 2, (1a)(2), and 4 were characterized by elemental analysis, NMR. ESI-MS, and single-crystal X-ray structural analysis. Variable-temperature NMR experiments showed that (1a)(2) and (1c)(2) are in equilibrium with the monomeric form in solution. The addition of L-Iactide (L-LA) to a combination of 1 and 2 equiv of BnOH in dichloromethane at room temperature in different molar ratios leads to rapid and efficient generation of poly(L-LA) with end-capped BnO groups. According to kinetic studies, propagation by [Zn(OBn)(MalO)] (1c) is first-order with respect to both the monomer and 1c concentrations; 1a in ring-opening polymerization of L-LA shows no activity. These results suggest a single-site active species in the ring-opening polymerization of L-LA.