4-(4-pyridin-4-yl-1H-pyrrol-3-yl)pyridine

• 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: 4-(4-pyridin-4-yl-1H-pyrrol-3-yl)pyridine
• 化学式: C₁₄H₁₁N₃
• 分子量: 221.261
• InChiKey: RXKHDMSDZHDTLA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  对甲基苯磺酰甲基异腈 、 1,2-二(4-吡啶基)乙烯 在 sodium t-butanolate 作用下， 以 二甲基亚砜 为溶剂， 反应 4.0h， 以91%的产率得到4-(4-pyridin-4-yl-1H-pyrrol-3-yl)pyridine
  参考文献：
  名称：

  One-Step Synthesis of 3-Aryl- and 3,4-Diaryl-(1H)-Pyrroles Using Tosylmethyl Isocyanide (TOSMIC)

  摘要：

  [GRAPHICS]A one-step synthesis of 3-aryl and 3,4-diaryl-(1H)-pyrroles from TOSMIC and commercially available or readily synthesized arylalkenes is reported. Optimal conditions were found to be NaOtBu in DMSO. The methodology was particularly efficient (yields > 65%) when electron poor aryl groups were attached to the alkene.

  DOI：

  10.1021/ol0267073

文献信息

• One-Step Synthesis of 3-Aryl- and 3,4-Diaryl-(1<i>H</i>)-Pyrroles Using Tosylmethyl Isocyanide (TOSMIC)
  作者：Nicholas D. Smith、Dehua Huang、Nicholas D. P. Cosford

  DOI：10.1021/ol0267073

  日期：2002.10.1

  [GRAPHICS]A one-step synthesis of 3-aryl and 3,4-diaryl-(1H)-pyrroles from TOSMIC and commercially available or readily synthesized arylalkenes is reported. Optimal conditions were found to be NaOtBu in DMSO. The methodology was particularly efficient (yields > 65%) when electron poor aryl groups were attached to the alkene.