2,6-bis(3-pyridyl)hexahydro-4,8-ethenopyrrolo[3,4-f]isoindole-1,3,5,7-tetrone | 356522-32-2

• 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: 2,6-bis(3-pyridyl)hexahydro-4,8-ethenopyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
• 英文别名: 4,10-DI(3-Pyridyl)-4,10-diazatetracyclo[5.5.2.0~2,6~.0~8,12~]tetradec-13-ene-3,5,9,11-tetraone；4,10-dipyridin-3-yl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
• CAS: 356522-32-2
• 化学式: C₂₂H₁₆N₄O₄
• mdl: MFCD00340153
• 分子量: 400.393
• InChiKey: NYRYURCICOJXHW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  30
• 可旋转键数：
  2
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  101
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-氨基吡啶 、 oct-7-ene-2,3,5,6-tetracarboxylic acid dianhydride 在 溶剂黄146 作用下， 反应 4.0h， 以83.5%的产率得到2,6-bis(3-pyridyl)hexahydro-4,8-ethenopyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
  参考文献：
  名称：

  Anion Modulated Structural Diversification in the Assembly of Cd(II) Complexes Based on a Balance-like Dipodal Ligand

  摘要：

  Reaction of a balance-like dipodal ligand 2,6-bis(pyridiyl) hexahydro-4,8-ethenopyrrolo [3,4-f]isoindole-1,3,5,7-tetrone (3-pybtd) with various Cd(II) salts afforded eight complexes, namely, [Cd-2(3-pybtd)(2)(NO3)(4)(C2H5OH)(2)-(H2O)(2)] (1), [Cd-2(3-pybtd)(2)(SiF6)(2)(DMF)(4)(H2O)(2)]-(H2O)(4)-(DMF)(2) (2), {[Cd(3-pybtd)(2)(H2O)(4)](ClO4)(2)}(n) (3), [Cd(3-pybtd)(2)(OTf)(2)].THF}(n) (4), {[Cd(3-pybtd)(2)-(SCN)(2)]center dot(H2O)(2)}(n) (5), [Cd(3-pybtd)(OTs)(2)(DMF)(2)](n) (6), [Cd(3-pybtd)(2)(OTs)(2)](n) (7), and {[Cd-2(3-pybtd)(2)Cl-10/3]-[CdCl8/3]center dot(H2O)(3)}(n) (8). Complexes 1 and 2 are zero-dimensional (OD) square-like or olive-like dimeric M2L2 metallacycles, showing a pair of shape-modified molecular rectangles due to different conformations of the ligands and coordination orientation of the metal centers. Complexes 3-5 are one-dimensional (1D) looplike chains composed of olive-like M2L2 metallacycle building units as in 2, showing OD -> ID dimension increase via ligand addition, while complex 8 is a three-dimensional (3D) framework retaining the same olive-like M2L2 metallacycle, showing OD -> 3D dimension increase via linkage of mu(3)-Cl bridged Cd(II) clusters. Complex 6 is a wave-like MnLn chain, possessing the same ML building units as in 1 but showing 0D -> ID dimension increase via ring-opening polymerization. Replacement of DMF molecules from the coordination sphere in 6 by the ligands resulted in a two-dimensional (2D) (4, 4) network of 7, showing ID -> 2D dimension increase from 6 via ligand addition or ID -> 2D dimension increase from 3-5 via ring-opening polymerization. Complexes 3-5 also represent a series of supramolecular isomorphs displaying anion exchange properties. Electrospray ionization mass spectrometry (ESI-MS) studies in solution suggest that the discrete and infinite structures in 1, 6, and 7 are assembled from the same monomeric ML building blocks, which crystallize in a different way to lead to structural diversification via dimerization or polymerization during the crystallization.

  DOI：

  10.1021/cg300051w