丙醛吡啶-2-基腙 | 10299-67-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 丙醛吡啶-2-基腙
• 英文名称: 1-(<2>Pyridyl-hydrazono)-propan
• 英文别名: propionaldehyde pyridin-2-ylhydrazone；N-(propylideneamino)pyridin-2-amine
• CAS: 10299-67-9
• 化学式: C₈H₁₁N₃
• 分子量: 149.195
• InChiKey: QSBMVCDLQVNPIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  丙醛吡啶-2-基腙 在 二乙二醇 作用下， 生成 3-甲基-7-氮杂吲哚
  参考文献：
  名称：

  Excited-state proton phototransfer in the (3-methyl-7-azaindole)-(7-azaindole) heterodimer

  摘要：

  A molecule of 7-azaindole and another of 3-methyl-7-azaindole form a doubly hydrogen bonded heterodimer of C, symmetry with a first electronic excited state a' where the electronic excitation is highly localized on one of the molecular halves. Also, because the electronic excitation only increases the acidity of the pyrrole nucleus and the basicity of the pyridine nucleus in one of the two hydrogen bonds, the heterodimer undergoes single rather than double proton transfer. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.cplett.2005.11.072
• 作为产物：
  描述：

  2-肼吡啶 、 丙醛 生成 丙醛吡啶-2-基腙
  参考文献：
  名称：

  Excited-state proton phototransfer in the (3-methyl-7-azaindole)-(7-azaindole) heterodimer

  摘要：

  A molecule of 7-azaindole and another of 3-methyl-7-azaindole form a doubly hydrogen bonded heterodimer of C, symmetry with a first electronic excited state a' where the electronic excitation is highly localized on one of the molecular halves. Also, because the electronic excitation only increases the acidity of the pyrrole nucleus and the basicity of the pyridine nucleus in one of the two hydrogen bonds, the heterodimer undergoes single rather than double proton transfer. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.cplett.2005.11.072

文献信息

• Excited-state proton phototransfer in the (3-methyl-7-azaindole)-(7-azaindole) heterodimer
  作者：Javier Catalán、Cristina Díaz、José L.G. de Paz

  DOI：10.1016/j.cplett.2005.11.072

  日期：2006.2

  A molecule of 7-azaindole and another of 3-methyl-7-azaindole form a doubly hydrogen bonded heterodimer of C, symmetry with a first electronic excited state a' where the electronic excitation is highly localized on one of the molecular halves. Also, because the electronic excitation only increases the acidity of the pyrrole nucleus and the basicity of the pyridine nucleus in one of the two hydrogen bonds, the heterodimer undergoes single rather than double proton transfer. (c) 2005 Elsevier B.V. All rights reserved.