1'-(2-(4-nitrophenyl)ethyl)-2,3'-bipyridinium iodide | 134529-13-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1'-(2-(4-nitrophenyl)ethyl)-2,3'-bipyridinium iodide
• 英文别名: 1-[2-(4-Nitrophenyl)ethyl]-3-pyridin-2-ylpyridin-1-ium;iodide
• CAS: 134529-13-8
• 化学式: C₁₈H₁₆N₃O₂*I
• 分子量: 433.248
• InChiKey: QXVRHLVUIZFZIN-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.19
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  62.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1'-(2-(4-nitrophenyl)ethyl)-2,3'-bipyridinium iodide 在 sodium methoxide-d3 作用下， 以 氘代甲醇 、 乙腈 为溶剂， 反应 31.5h， 生成 1-methyl-2,3'-bipyridinium perchlorate
  参考文献：
  名称：

  N-methylated 2,3'-bipyridinium ion. First synthesis of the more sterically hindered isomer

  摘要：

  1-Methyl-2,3'-bipyridinium salts can be prepared by deprotection of diquaternized precursors. Protecting groups are eliminated from the 1'-position under basic conditions; they include either p-nitrostyrene or 1-methyl-2-vinylpyridinium ion. In DMSO-d6-CD3OD a nucleophile adds to 1,1'-dimethyl-2,3'-bipyridinium ion to generate a sigma-complex having a nucleophile bonded to the 6'-position.

  DOI：

  10.1021/jo00034a036
• 作为产物：
  描述：

  4-硝基苯乙基溴 在 sodium iodide 作用下， 以 丙酮 为溶剂， 反应 48.0h， 生成 1'-(2-(4-nitrophenyl)ethyl)-2,3'-bipyridinium iodide
  参考文献：
  名称：

  N-methylated 2,3'-bipyridinium ion. First synthesis of the more sterically hindered isomer

  摘要：

  1-Methyl-2,3'-bipyridinium salts can be prepared by deprotection of diquaternized precursors. Protecting groups are eliminated from the 1'-position under basic conditions; they include either p-nitrostyrene or 1-methyl-2-vinylpyridinium ion. In DMSO-d6-CD3OD a nucleophile adds to 1,1'-dimethyl-2,3'-bipyridinium ion to generate a sigma-complex having a nucleophile bonded to the 6'-position.

  DOI：

  10.1021/jo00034a036

文献信息

• N-methylated 2,3'-bipyridinium ion. First synthesis of the more sterically hindered isomer
  作者：John A. Zoltewicz、Linda B. Bloom、William R. Kem

  DOI：10.1021/jo00034a036

  日期：1992.4

  1-Methyl-2,3'-bipyridinium salts can be prepared by deprotection of diquaternized precursors. Protecting groups are eliminated from the 1'-position under basic conditions; they include either p-nitrostyrene or 1-methyl-2-vinylpyridinium ion. In DMSO-d6-CD3OD a nucleophile adds to 1,1'-dimethyl-2,3'-bipyridinium ion to generate a sigma-complex having a nucleophile bonded to the 6'-position.