bis-(2,4,7,8,9-pentamethyldipyrrolylmethen-3-yl)methane | 1321204-66-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: bis-(2,4,7,8,9-pentamethyldipyrrolylmethen-3-yl)methane
• CAS: 1321204-66-3
• 化学式: C₂₉H₃₆N₄
• 分子量: 440.632
• InChiKey: WMYOEJBMDDSTJI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.41
• 重原子数：
  33.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  56.3
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  bis-(2,4,7,8,9-pentamethyldipyrrolylmethen-3-yl)methane 、 nickel diacetate 以 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  The influence of ms-substitution on the properties of 3,3′-bis(dipyrrolylmethenes) and their coordination compounds

  摘要：

  We have compared the coordination properties of decamethyl-substituted 3,3'-bis-(dipyrrolylmethenes) (H2L) with different ms-spacers separating the dipyrrolylmethene domains: methylene -CH2-, methoxyphenylmethylene -CH(p-C6H4OMe)-, and trifluoromethylmethylene -CH(CF3)-. The stable binuclear homoligand complexes [M2L2] are formed in reactions of the ligands with Co(II), Ni(II), Cu(II), Zn(II), Cd(II), and Hg(II) acetates. In the cases of all H2L ligands the thermodynamic constants of the complex formation reactions increase in the following series: Cu(II) < Cd(II) < Hg(II) < Ni(II) < Co(II) < Zn(II). The change in -CH2- ms-spacer to -CH(p-C6H4OMe)- or -CH(CF3)- results in a decrease in the constant of H2L complex formation by 1-4 orders of magnitude, the cation being the same. The influence of ms-substitution on the stability and luminescence properties of [M2L2] has been discussed.

  DOI：

  10.1134/s107036321312013x
• 作为产物：
  描述：

  3,3'-methanediylbis(2,4,7,8,9-pentamethyldipyrrolylmethene)dihydrobromide 在 三乙胺 作用下， 以 丙醇 为溶剂， 生成 bis-(2,4,7,8,9-pentamethyldipyrrolylmethen-3-yl)methane
  参考文献：
  名称：

  Synthesis, stability in solutions, and spectral and thermal properties of alkyl-substituted 3,3′-bis(dipyrromethene) hydrobromides

  摘要：

  3,3'-Bis(dipyrromethene) dihydrobromides (H(2)L center dot 2HBr) with various types of alkylation have been synthesized. On the basis of IR, (1)H NMR, and electronic absorption spectra, spectrophotometric titration, and thermogravimetry, conclusions have been drawn about the influence of structural factors on the optical and thermal properties and salt stability in solutions. An increase in the degree of alkylation causes a significant high-frequency shift of the N-H stretching vibration band in the IR spectra, an upfield shift of the (1)H NMR signals of NH protons, a decrease in the auxochromic effects of protons on the aromatic system of the chromophore, and an increase in the salt stability in solutions in the presence of nucleophilic reagents and in the thermal stability in air and argon.

  DOI：

  10.1134/s0036023610080036