1-cyano-3-(2-pyridinecarboxamido)-2-(2-pyridiyl)indolizine | 1018667-57-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 英文名称: 1-cyano-3-(2-pyridinecarboxamido)-2-(2-pyridiyl)indolizine
• 英文别名: N-(1-cyano-2-pyridin-2-ylindolizin-3-yl)pyridine-2-carboxamide
• CAS: 1018667-57-6
• 化学式: C₂₀H₁₃N₅O
• 分子量: 339.356
• InChiKey: QTOSAOCUQWTWQS-UHFFFAOYSA-N

物化性质

• 熔点：
  277 °C(Solvent: Ethanol)
• 密度：
  1.30±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  83.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-吡啶乙腈 在 selenium(IV) oxide 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以30%的产率得到1-cyano-3-(2-pyridinecarboxamido)-2-(2-pyridiyl)indolizine
  参考文献：
  名称：

  One-Pot Synthesis of Indolizine Derivative and Its Application as Multi-Dentate Ligand

  摘要：

  1-Cyano-3-(2-pyridinecarboxamido)-2-(2-pyridiyl)indolizine (2) was readily synthesized by the one-pot reaction of 2-(cyanomethyl)pyridine (I a) with selenium dioxide. The reaction of 3- or 4-(cyanomethyl)pyridines (1b,c) under the same reaction conditions gave 2,3-bi(3-pyridyl)-2-butenedinitrile (3b) and 2,3-bi(4-pyridyl)-2-butenedinitrile (3c), respectively. The indolizine 2 (L-H) reacted with Ni(NO(3))(2)center dot 6H(2)O in ethanol to produce the NiL(2) complex (4). The structure was determined by X-ray crystallography.

  DOI：

  10.3987/com-07-11197

文献信息

• One-Pot Synthesis of Indolizine Derivative and Its Application as Multi-Dentate Ligand
  作者：Osamu Niyomura、Yoshimi Yamaguchi、Ryo Sakao、Mao Minoura、Yoshihisa Okamoto

  DOI：10.3987/com-07-11197

  日期：——

  1-Cyano-3-(2-pyridinecarboxamido)-2-(2-pyridiyl)indolizine (2) was readily synthesized by the one-pot reaction of 2-(cyanomethyl)pyridine (I a) with selenium dioxide. The reaction of 3- or 4-(cyanomethyl)pyridines (1b,c) under the same reaction conditions gave 2,3-bi(3-pyridyl)-2-butenedinitrile (3b) and 2,3-bi(4-pyridyl)-2-butenedinitrile (3c), respectively. The indolizine 2 (L-H) reacted with Ni(NO(3))(2)center dot 6H(2)O in ethanol to produce the NiL(2) complex (4). The structure was determined by X-ray crystallography.