1,1'-(1,4-phenylenedicarbonylmethyl)-bis-pyridinium dibromide | 88892-05-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,1'-(1,4-phenylenedicarbonylmethyl)-bis-pyridinium dibromide
• 英文别名: 1,4-bis-pyridinioacetyl-benzene; dibromide；1,4-Bis-pyridinioacetyl-benzol; Dibromid；1,4-Bis-bromacetyl-benzol Dipyridiniumsalz
• CAS: 88892-05-1
• 化学式: 2Br*C₂₀H₁₈N₂O₂
• 分子量: 478.183
• InChiKey: NEWYJUCAVZRXKI-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.97
• 重原子数：
  25.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  41.9
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1,1'-(1,4-phenylenedicarbonylmethyl)-bis-pyridinium dibromide 、 异氰酸苯酯 在 TEA 作用下， 以 氯仿 为溶剂， 反应 24.0h， 以54%的产率得到1,4-(1,1'-(1,1'-carbonyl-1,1'-N-phenylcarbamoyl)-bis-pyridinium dimethylide)phenylene
  参考文献：
  名称：

  Synthesis and Characterisation of Extended p-Bonding Systems in Cycloimmonium Ylides Derived from the 4,4’-Bipyridine

  摘要：

  Disubstituted cycloimmonium ylides derived from the 4,4'-bipyridine with one, two or four ylidic systems in their molecular structure are described as stable compounds. Synthesis of some bridged 1,1'-disubstituted 4,4'-bipyridinium dimethylides in which 1,4- or 1,3-phenylene spacers may be used, provide some new macromolecular cycloimmonium ylides with spatially extended pi-bonding system. These compounds were obtained by the chemical conversion of 4,4'-bipyridinium salts as viologens or bis-viologens, with acylating or carbamoylating agents, in basic media. The characterisation of all compounds has been mainly performed by H-1 and C-13 NMR spectroscopy.

  DOI：

  10.3987/com-02-9571
• 作为产物：
  描述：

  吡啶 、 2-溴-1-[4-(2-溴乙酰基)苯基]乙酮 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以33%的产率得到1,1'-(1,4-phenylenedicarbonylmethyl)-bis-pyridinium dibromide
  参考文献：
  名称：

  Synthesis and Characterisation of Extended p-Bonding Systems in Cycloimmonium Ylides Derived from the 4,4’-Bipyridine

  摘要：

  Disubstituted cycloimmonium ylides derived from the 4,4'-bipyridine with one, two or four ylidic systems in their molecular structure are described as stable compounds. Synthesis of some bridged 1,1'-disubstituted 4,4'-bipyridinium dimethylides in which 1,4- or 1,3-phenylene spacers may be used, provide some new macromolecular cycloimmonium ylides with spatially extended pi-bonding system. These compounds were obtained by the chemical conversion of 4,4'-bipyridinium salts as viologens or bis-viologens, with acylating or carbamoylating agents, in basic media. The characterisation of all compounds has been mainly performed by H-1 and C-13 NMR spectroscopy.

  DOI：

  10.3987/com-02-9571

文献信息

• �ber Derivate des p-Phenylen-?, ??-di�thylalkohols, des m-und p-Diacetyl-benzols und der p-Phenylen-diacryls�ure. (49. Mitteilung �ber Stickstoff-Heterocyclen)
  作者：Paul Ruggli、Wilhelm Theilheimer

  DOI：10.1002/hlca.194102401108

  日期：——
• Kroehnke; Vogt, Chemische Berichte, 1953, vol. 86, p. 1132,1137
  作者：Kroehnke、Vogt

  DOI：——

  日期：——