1-(4-tert-butyl-2-selenazolylimino)-3-(2-pyridylimino)isoindoline | 1208482-22-7

• 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-(4-tert-butyl-2-selenazolylimino)-3-(2-pyridylimino)isoindoline
• 英文别名: 1-(4-tert-butyl-2-selenazolyl)imino-3-(pyridin-2-yl)iminoisoindoline；3-[(4-tert-butyl-1,3-selenazol-2-yl)imino]-N-pyridin-2-ylisoindol-1-amine
• CAS: 1208482-22-7
• 化学式: C₂₀H₁₉N₅Se
• 分子量: 408.364
• InChiKey: LMJBNKIUUCAVLH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.78
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  62.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(4-tert-butyl-2-selenazolylimino)-3-(2-pyridylimino)isoindoline 、 palladium diacetate 以 二氯甲烷 为溶剂， 以75%的产率得到
  参考文献：
  名称：

  Palladium complexes of unsymmetrical 1,3-bis(aryliminio)isoindoline (BAI) ligands: A novel class of complexes exhibiting unusual structural features

  摘要：

  The metallation of two homologous, unsymmetrical BAI (1,3-bis(aryliminio)isoindoline) ligands with palladium acetate leads to square-planar cyclometallated Pd-II complexes, comprising a C-H bond activated dianionic and tetradentate BAI ligand. in the solid state these isostructural monomeric complexes form a structural motif containing large voids, despite the absence of other than dispersive intermolecular interactions. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2009.06.062
• 作为产物：
  描述：

  2-氨基吡啶 、 4-tert-butyl-1,3-selenazol-2-amine 、 1,3-二亚胺基异吲哚啉 以 乙醇 为溶剂， 反应 60.0h， 以19%的产率得到1-(4-tert-butyl-2-selenazolylimino)-3-(2-pyridylimino)isoindoline
  参考文献：
  名称：

  Palladium complexes of unsymmetrical 1,3-bis(aryliminio)isoindoline (BAI) ligands: A novel class of complexes exhibiting unusual structural features

  摘要：

  The metallation of two homologous, unsymmetrical BAI (1,3-bis(aryliminio)isoindoline) ligands with palladium acetate leads to square-planar cyclometallated Pd-II complexes, comprising a C-H bond activated dianionic and tetradentate BAI ligand. in the solid state these isostructural monomeric complexes form a structural motif containing large voids, despite the absence of other than dispersive intermolecular interactions. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2009.06.062

文献信息

• Palladium complexes of unsymmetrical 1,3-bis(aryliminio)isoindoline (BAI) ligands: A novel class of complexes exhibiting unusual structural features
  作者：Christian Kleeberg、Martin Bröring

  DOI：10.1016/j.poly.2009.06.062

  日期：2010.1

  The metallation of two homologous, unsymmetrical BAI (1,3-bis(aryliminio)isoindoline) ligands with palladium acetate leads to square-planar cyclometallated Pd-II complexes, comprising a C-H bond activated dianionic and tetradentate BAI ligand. in the solid state these isostructural monomeric complexes form a structural motif containing large voids, despite the absence of other than dispersive intermolecular interactions. (C) 2009 Elsevier Ltd. All rights reserved.