2-(2-benzoxazolyl)cyanoacetaldehyde | 342422-57-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: 2-(2-benzoxazolyl)cyanoacetaldehyde
• 英文别名: 2-(1,3-Benzoxazol-2-yl)-3-oxopropanenitrile
• CAS: 342422-57-5
• 化学式: C₁₀H₆N₂O₂
• 分子量: 186.17
• InChiKey: JEYBSDAPUNTIJG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  66.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  间苯二酚 、 2-(2-benzoxazolyl)cyanoacetaldehyde 以47%的产率得到
  参考文献：
  名称：

  NAIK H. A.; SESHADRI S., INDIAN J. CHEM. , 1977, B 15, NO 6, 506-508

  摘要：

  DOI：

文献信息

• Monomeric cadmium(II), cobalt(II), copper(II), nickel(II) and zinc(II) complexes with derivatives of benzoxazolylaldehydes
  作者：I. Karadjova、S. Arpadjan、L. Shishkova

  DOI：10.1016/s0277-5387(00)83573-1

  日期：1992.1

  Monomeric cadmium(II), cobalt(II), copper(II), nickel(II) and zinc(II) complexes with two new organic reagents, 2-(2-benzoxazolyl)malonaldehyde (2-BOMA) and 2-(2-benzoxazolyl)cyanoacetaldehyde (2-BOCA), have been prepared by extraction and characterized. IR, far-IR, H-1 NMR, EPR and UV spectroscopy were used to assign the mode of coordination in the extracted species. These ligands exhibit keto-enol tautomerism and 2-BOMA forms complexes with cadmium, cobalt, nickel and zinc as a bidentate chelating reagent in the enolic form via the two oxygen atoms of the alcohol and aldehyde groups, forming a six-membered planar ring. In the complexes of copper with 2-BOMA the benzoxazolyl oxygen atom is involved in chelate formation. 2-BOCA appears to be coordinated to the metal ions under consideration through the carbonyl group and the benzoxazolyl oxygen atom in a bidentate fashion.