1,3-bis-(3,5-dichloro-2-pyridylimino)isoindoline | 81560-20-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 1,3-bis-(3,5-dichloro-2-pyridylimino)isoindoline
• 英文别名: 1-N,3-N-bis(3,5-dichloropyridin-2-yl)isoindole-1,3-diimine
• CAS: 81560-20-5
• 化学式: C₁₈H₉Cl₄N₅
• 分子量: 437.115
• InChiKey: OGCREMMEJSKASK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  27
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  62.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  乙酸钼(II)二聚体 、 1,3-bis-(3,5-dichloro-2-pyridylimino)isoindoline 以 甲醇 为溶剂， 生成 dimolybdenum(bis(3,5-dichloropyridylimino)isoindoline(OAc)3)
  参考文献：
  名称：

  Trends in δ → δ* energies and intensities in bis(arylimino)isoindoline complexes of dimolybdenum

  摘要：

  It has been found that the delta --> delta* band in the electronic absorption spectra of a series of bis(arylimino)isoindoline dimolybdenum complexes, Mo2(BAII)(OAc)3, follows three trends. First, as the energy of the band decreases across the series its intensity increases. Second, as electron-releasing groups are added to the aryl portion of the ligand the energy of the band increases, while addition of electron-releasing groups decreases its energy. Third, as the parent aryl group becomes a better pi-acceptor the band's energy decreases. These three trends are taken to indicate that the energy of the delta --> delta* band in this series of compounds is determined by mixing of a ligand-to-metal charge-transfer transition with the original delta --> delta* transition.

  DOI：

  10.1016/s0277-5387(00)81593-4
• 作为产物：
  描述：

  1,3-二亚胺基异吲哚啉 、 2-氨基-3,5二氯吡啶 以 正丁醇 为溶剂， 反应 26.0h， 以42%的产率得到1,3-bis-(3,5-dichloro-2-pyridylimino)isoindoline
  参考文献：
  名称：

  Siegl, Walter O., Journal of Heterocyclic Chemistry, 1981, vol. 18, p. 1613 - 1618

  摘要：

  DOI：

文献信息

• SIEGL, W. O., J. HETEROCYCL. CHEM., 1981, 18, N 8, 1613-1618
  作者：SIEGL, W. O.

  DOI：——

  日期：——
• Siegl, Walter O., Journal of Heterocyclic Chemistry, 1981, vol. 18, p. 1613 - 1618
  作者：Siegl, Walter O.

  DOI：——

  日期：——
• Trends in δ → δ* energies and intensities in bis(arylimino)isoindoline complexes of dimolybdenum
  作者：D.M. Baird、K.Y. Shih

  DOI：10.1016/s0277-5387(00)81593-4

  日期：1991.1

  It has been found that the delta --> delta* band in the electronic absorption spectra of a series of bis(arylimino)isoindoline dimolybdenum complexes, Mo2(BAII)(OAc)3, follows three trends. First, as the energy of the band decreases across the series its intensity increases. Second, as electron-releasing groups are added to the aryl portion of the ligand the energy of the band increases, while addition of electron-releasing groups decreases its energy. Third, as the parent aryl group becomes a better pi-acceptor the band's energy decreases. These three trends are taken to indicate that the energy of the delta --> delta* band in this series of compounds is determined by mixing of a ligand-to-metal charge-transfer transition with the original delta --> delta* transition.