1,3-bis-(4,6-dimethyl-2-pyridylimino)-isoindoline | 61702-04-3

• 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-(4,6-dimethyl-2-pyridylimino)-isoindoline
• 英文别名: 1,3-bis(4,6-dimethylpyridyl-2-imino)isoindoline；4,6-Me2BPI；N-(4,6-dimethylpyridin-2-yl)-3-(4,6-dimethylpyridin-2-yl)iminoisoindol-1-amine
• CAS: 61702-04-3
• 化学式: C₂₂H₂₁N₅
• 分子量: 355.442
• InChiKey: MSAMFSASPQFRAT-UHFFFAOYSA-N

物化性质

• 熔点：
  137-138 °C
• 沸点：
  568.4±60.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 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：

  1,3-bis-(4,6-dimethyl-2-pyridylimino)-isoindoline 以 甲醇 为溶剂， 生成 [Pd2(acetato)(μ-acetato)(1,3-bis(4,6-dimethylpyridyl-2-imino)isoindoline(-2H))]2
  参考文献：
  名称：

  Cyclometalation vs. Werner-type coordination of sterically enforced palladium(ii)-1,3-bis(pyridyl-2-imino)isoindolines (Pd-BPIs)

  摘要：

  1,3-双(4,6-二甲基吡啶-2-亚氨基)异吲哚啉和乙酸钯在甲醇中反应，根据反应物的化学计量学，可选择性地生成预期的乙酸钯 N,N,N-螯合物或环化四核二聚体。

  DOI：

  10.1039/b700400a
• 作为产物：
  描述：

  1,2-二氰基苯 以78%的产率得到
  参考文献：
  名称：

  SIEGL W. O., J. ORG. CHEM. , 1977, 42, NO 11, 1872-1878

  摘要：

  DOI：

文献信息

• Bautista, Dorothy V.; Bullock, Graham; Hartstock, Frederick W., Journal of Heterocyclic Chemistry, 1983, vol. 20, p. 345 - 347
  作者：Bautista, Dorothy V.、Bullock, Graham、Hartstock, Frederick W.、Thompson, Laurence K.

  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.
• Structural characterization of bis(arylimino)isoindoline complexes of dimolybdenum
  作者：D.M. Baird、K.Y. Shih、J.H. Welch、R.D. Bereman

  DOI：10.1016/s0277-5387(00)80297-1

  日期：1989.1
• BAUTISTA, D. V.;BULLOCK, G.;HARTSTOCK, F. W.;THOMPSON, L. K., J. HETEROCYCL. CHEM., 1983, 20, N 2, 345-347
  作者：BAUTISTA, D. V.、BULLOCK, G.、HARTSTOCK, F. W.、THOMPSON, L. K.

  DOI：——

  日期：——
• Cyclometalation vs. Werner-type coordination of sterically enforced palladium(<scp>ii</scp>)-1,3-bis(pyridyl-2-imino)isoindolines (Pd-BPIs)
  作者：Martin Bröring、Christian Kleeberg

  DOI：10.1039/b700400a

  日期：——

  The reaction of 1,3-bis(4,6-dimethylpyridyl-2-imino)isoindoline and palladium acetate in methanol selectively yields the expected acetato palladium N,N,N-chelate or a cyclometalated tetranuclear dimer depending on the stoichiometry of the reactants.

  1,3-双(4,6-二甲基吡啶-2-亚氨基)异吲哚啉和乙酸钯在甲醇中反应，根据反应物的化学计量学，可选择性地生成预期的乙酸钯 N,N,N-螯合物或环化四核二聚体。