3,3',5,5'-tetramethyl-4,4'-dibutyl-2,2'-dipyrrolylmethene | 309956-58-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 3,3',5,5'-tetramethyl-4,4'-dibutyl-2,2'-dipyrrolylmethene
• 英文别名: 4,4'-dibutyl-3,3',5,5'-tetramethyldipyrrolylmethene；3,3'5,5'-tetramethyl-4,4'-dibutyldipyrrolylmethene；4-butyl-2-[(4-butyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole
• CAS: 309956-58-9
• 化学式: C₂₁H₃₂N₂
• 分子量: 312.498
• InChiKey: BSNSSQQGMHVRLW-UHFFFAOYSA-N

物化性质

• 熔点：
  140 °C (decomp)
• 沸点：
  442.6±45.0 °C(Predicted)
• 密度：
  0.98±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  23.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  28.15
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  copper(II) valinate 、 3,3',5,5'-tetramethyl-4,4'-dibutyl-2,2'-dipyrrolylmethene 以 N,N-二甲基甲酰胺 为溶剂， 生成 Cu(3,3',5,5'-tetramethyl-4,4'-dibutyldipyrrolylmethene-H)(valinate)
  参考文献：
  名称：

  Reactivity of α,α-dipyrrolylmethene in reactions with some Co(II) and Cu(II) complexes

  摘要：

  Reactivity of 3,3',5,5'-tetramethyl-4,4'dibutyldipyrrolylmethene (HL) in reactions with Co(II) and Cu(II) acetates, acetylacetonates, and valinates in DMF (298.15 K) was estimated by spectrophotometric and calorimetric titration methods. The product of the exchange reaction between HL and Co acetate or acetylacetonate was found to be CoL2 complex. With an excess of Cu(H) acetate or acetylacetonate, the reaction resulted in mixed-ligand complexes CuL(AcO) and CuL(Acac), while with an excess of HL, the CuL2 complex was formed. Irrespective of the reagent concentration ratios, the exchange reactions with Cu(II) and Co(II) valinates gave ML(Val) complexes. Thermodynamic parameters of HL reactions with Cu(II) and Co(II) acetates, acetylacetonates, and valinates were determined.

  DOI：

  10.1134/s1070328406070098
• 作为产物：
  描述：

  Hg(3,3',5,5'-tetramethyl-4,4'-dibutyldipyrrolylmethene-2,2'(-1H))2 、 苯 以 苯 为溶剂， 生成 二苯基汞 、 3,3',5,5'-tetramethyl-4,4'-dibutyl-2,2'-dipyrrolylmethene
  参考文献：
  名称：

  Influence of metal cation on chromophore properties of complexes of some d metals with α,α-dipyrrolylmethene

  摘要：

  在Cu2+、Ni2+、Co2+、Zn2+和Hg2+与3,3′,5,5′-四甲基-4,4′-二丁基-2,2′-二吡咯基甲烯的复合物中，d-金属离子对配体的π系统产生助色效应，表现为与游离配体相比，复合物光谱中第一吸收带的色散移位。复合物中发色团π系统的极化顺序为Zn2+

  DOI：

  10.1007/s11176-005-0152-y

文献信息

• ——
  作者：G. B. Guseva、E. V. Antina、A. S. Semeikin、M. B. Berezin、A. I. V'yugin

  DOI：10.1023/a:1020812804207

  日期：——

  Complexes of Cu2+, Ni2+, Co2+, Zn2+, and Hg2+ with 4,4'-dibutyl-3,3',5,5'-tetramethyldipyrrolyl-methene were synthesized. The stoichiometric compositions of the complexes in solution and in crystal were determined, and their electronic absorption spectra and thermooxidative degradation were studied.