1,1-dibutyl-3-(cyanomethylene)-3,4-dihydro-1H-1l4-pyrido[1,2-c][1,3,5,2]oxadiazaborinin-9-ium | 133652-05-8

• 英文名称: 1,1-dibutyl-3-(cyanomethylene)-3,4-dihydro-1H-1l4-pyrido[1,2-c][1,3,5,2]oxadiazaborinin-9-ium
• CAS: 133652-05-8
• 化学式: C₁₆H₂₄BN₃O
• 分子量: 285.197
• InChiKey: ZOFMMFPHJYZVNI-UHFFFAOYSA-N

计算性质

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

反应信息

• 作为反应物：
  描述：

  1,1-dibutyl-3-(cyanomethylene)-3,4-dihydro-1H-1l4-pyrido[1,2-c][1,3,5,2]oxadiazaborinin-9-ium 以 氘代二甲亚砜 为溶剂， 生成
  参考文献：
  名称：

  Synthesis of boron chelates from N-(pyrid-2-YL)- and (N-4-methylpyrid-2-YL) cyanoacetamides and their tautomeric transformations

  摘要：

  Chelate complexes in which the boron atom is bound to the pyridine N atom and the O atom of the deprotonated ligand were synthesized by reaction of N-(pyrid-2-yl)- and N-(4-methylpyrid-2-yl) cyanoacetamides. A new type of intrachelate tautomeric transformation was discovered: the complexes obtained can exist in solutions in the form of two tautomers, which are derivatives of acetimidic acid or the corresponding ketene N,O-acetals.

  DOI：

  10.1007/bf00959647
• 作为产物：
  描述：

  2-氰基-N-吡啶-2-基-乙酰胺 、 (butane-1-sulfenyl)-dibutyl-borane 以 四氢呋喃 为溶剂， 以57%的产率得到1,1-dibutyl-3-(cyanomethylene)-3,4-dihydro-1H-1l4-pyrido[1,2-c][1,3,5,2]oxadiazaborinin-9-ium
  参考文献：
  名称：

  Synthesis of boron chelates from N-(pyrid-2-YL)- and (N-4-methylpyrid-2-YL) cyanoacetamides and their tautomeric transformations

  摘要：

  Chelate complexes in which the boron atom is bound to the pyridine N atom and the O atom of the deprotonated ligand were synthesized by reaction of N-(pyrid-2-yl)- and N-(4-methylpyrid-2-yl) cyanoacetamides. A new type of intrachelate tautomeric transformation was discovered: the complexes obtained can exist in solutions in the form of two tautomers, which are derivatives of acetimidic acid or the corresponding ketene N,O-acetals.

  DOI：

  10.1007/bf00959647

文献信息

• Dimerization of N-(pyrid-2-YL)- and N-(5-methylpyrid-2-YL) cyanoacetamides by the action of butylthiodibutylborane
  作者：V. A. Dorokhov、S. V. Baranin、A. Dib、V. S. Bogdanov

  DOI：10.1007/bf00959648

  日期：1991.1

  The reaction of N-(pyrid-2-yl) and N-(5-methylpyrid-2-yl) cyanoacetamides with butylthiodibutylborane in a 2:3 ratio leads to the formation of trinuclear complex boron compounds, the alcoholysis of which gave N,N'-di(pyrid-2-yl) 3-amino-2-cyanopent-2-ene-1,5-diamides. The latter are dimers of the starting cyanamides, which are capable of acting as hexadentate chelating agents.