N'-(5-tert-butylisoxazol-3-yl)-3,3-dimethyl-2-oxobutanehydrazonoyl cyanide | 948036-21-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 亚胺内酰胺
• 英文名称: N'-(5-tert-butylisoxazol-3-yl)-3,3-dimethyl-2-oxobutanehydrazonoyl cyanide
• 英文别名: N-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-3,3-dimethyl-2-oxobutanimidoyl cyanide
• CAS: 948036-21-3
• 化学式: C₁₄H₂₀N₄O₂
• 分子量: 276.338
• InChiKey: KGPHOYRNVXVLCD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  91.3
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-氨基-5-叔丁基异唑 、 新戊酰基乙腈 在 磷酸 、 sodium nitrite 、 sodium hydroxide 作用下， 以 水 为溶剂， 反应 0.5h， 以3.66 g的产率得到N'-(5-tert-butylisoxazol-3-yl)-3,3-dimethyl-2-oxobutanehydrazonoyl cyanide
  参考文献：
  名称：

  The synthesis and properties of highly organosoluble metal(II) complexes with hydrazone ligands derived from pivaloylacetonitrile

  摘要：

  Using pivaloylacetonitrile as starting material and coupling component, a novel hydrazone ligand and four highly organosoluble metal(II) complexes were synthesized via the procedure of oximation, cyclization, diazotization, coupling and metal chelation. In addition to elemental analysis, the structures of the novel compounds were Postulated based on a series of spectroscopic methods. Smooth thin films of these metal(II) complexes on K9 glass substrates were prepared by spin-coating from 2,2,3,3-tetrafluoro-1-propanol Solutions. The behaviour and relationships of the absorption bands both in solution and in spin-coated films are discussed; the thermal properties, photostability and the solubility of the metal(II) complexes were investigated. The synthesized Ni(II) complex exhibited a remarkable combination of excellent solubility and photostability, suitable absorption band and desirable thermal properties and, therefore, offers the potential of becoming a recording material for the recordable blu-ray disc system. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2009.11.006

文献信息

• The synthesis and properties of highly organosoluble metal(II) complexes with hydrazone ligands derived from pivaloylacetonitrile
  作者：Zhimin Chen、Yiqun Wu、Donghong Gu、Fuxi Gan

  DOI：10.1016/j.dyepig.2009.11.006

  日期：2010.6

  Using pivaloylacetonitrile as starting material and coupling component, a novel hydrazone ligand and four highly organosoluble metal(II) complexes were synthesized via the procedure of oximation, cyclization, diazotization, coupling and metal chelation. In addition to elemental analysis, the structures of the novel compounds were Postulated based on a series of spectroscopic methods. Smooth thin films of these metal(II) complexes on K9 glass substrates were prepared by spin-coating from 2,2,3,3-tetrafluoro-1-propanol Solutions. The behaviour and relationships of the absorption bands both in solution and in spin-coated films are discussed; the thermal properties, photostability and the solubility of the metal(II) complexes were investigated. The synthesized Ni(II) complex exhibited a remarkable combination of excellent solubility and photostability, suitable absorption band and desirable thermal properties and, therefore, offers the potential of becoming a recording material for the recordable blu-ray disc system. (C) 2009 Elsevier Ltd. All rights reserved.