4-hydroxy-4-hexen-3-one oximato-N,O(3-methylimino-3-hexanone oximato-N,N')nickel(II) | 214973-35-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-hydroxy-4-hexen-3-one oximato-N,O(3-methylimino-3-hexanone oximato-N,N')nickel(II)
• CAS: 214973-35-0
• 化学式: C₁₃H₂₃N₃NiO₃
• 分子量: 328.034
• InChiKey: BEGQLUVIBKWECU-VHFPHVMJSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  4-(hydroxyimino)hexan-3-one 、 nickel(II) acetate tetrahydrate 、 甲胺 以 水 为溶剂， 以40%的产率得到4-hydroxy-4-hexen-3-one oximato-N,O(3-methylimino-3-hexanone oximato-N,N')nickel(II)
  参考文献：
  名称：

  Characterization and Crystal Structure of Nickel Complexes of Imine Oximes Containing Tautomerized Enolate Ligands

  摘要：

  The nickel (II) complexes 3-hydroxy-3-penten-2-one oximato-N, O(3-methylimino-2-pentanone oximato-N,N')nickel(II), Ni(pen)(mei); 3-hydroxy-3-penten-2-one oximato-N, O(3-ethylimino-2-pentanone oximato-N,N')nickel(II), Ni(pen)(eti); 4-hydroxy-4-hexen-3-one oximato-N, O(4-methylimino-3-hexanone oximato-N,N')nickel(II), Ni(hex)(mei); and 4-hydroxy-4-hexen-3-one oximato-N,O(4-ethylimino-3-hexanone oximato-N,N')nickel(II), Ni(hex)(eti) have been synthesized from the corresponding alkyldione monoximes and amines and characterized by NMR, IR, MS, and elemental analysis. The latter three complexes have not been previously reported, and the characterization shows their structure to be contrary to that reported for Ni(pen)(mei) in earlier literature. Their formation suggests two separate courses of the alkyldione monoxime: reaction with amine;to form the imine and keto/enol tautomerization. The crystal structure of Ni(hex)(eti) has been determined: monoclinic, P2(1)/n, a = 8.2350(1) Angstrom, b = 14.0895(2) Angstrom, c = 13.7965(1) Angstrom, beta = 95.964(1)degrees, with four molecules per unit cell. The reactivity of the complexes is explained based on the crystal structure and H-1 NMR data.

  DOI：

  10.1021/ic980415+