Methyl 4-[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyrrol-1-yl]benzoate | 1118905-21-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: Methyl 4-[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyrrol-1-yl]benzoate
• CAS: 1118905-21-7
• 化学式: C₁₈H₁₅NO₄S
• 分子量: 341.387
• InChiKey: WWPUHOBKKMUZQX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  77.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  methyl 4-(1H-pyrrol-1-yl)benzoate 、 在 三甲基溴硅烷 作用下， 以 六氟异丙醇 为溶剂， 反应 3.0h， 生成 Methyl 4-[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)pyrrol-1-yl]benzoate
  参考文献：
  名称：

  Metal-Free Oxidative Cross-Coupling of Unfunctionalized Aromatic Compounds

  摘要：

  A new strategy for mixed biaryl synthesis has been developed using the hypervalent iodine(III) reagents. The unique reactivities of the sigma-heteroaryl iodine(III) intermediates generated in situ are the key element for the unusual metal catalyst-free transformations and strict control of the product selectivities.

  DOI：

  10.1021/ja808940n

文献信息

• NOVEL HETEROCYCLIC AROMATIC COMPOUND AND POLYMER
  申请人：Kita Yasuyuki

  公开号：US20110190461A1

  公开（公告）日：2011-08-04

  A heterocycle-containing aromatic compound represented by the formula: A-B, and an electrically conductive polymer obtained by oxidative polymerization of the heterocycle-containing aromatic compound as a monomer are provided. In the above formula, A represents a substituted or unsubstituted thiophene ring group, or a substituted or unsubstituted pyrrole ring group; B represents a substituted or unsubstituted hydrocarbon aromatic ring group, a substituted or unsubstituted thiophene ring group, or a substituted or unsubstituted pyrrole ring group; the ring represented by A and the ring represented by B are directly linked; however, A and B represent structures that are different from each other. The compound can be produced by a coupling reaction using a hypervalent iodine reactant.

  提供一种含杂环芳香化合物的分子，其化学式为A-B，以及通过将含杂环芳香化合物氧化聚合得到的电导性高分子作为单体。在上述化学式中，A代表取代或未取代的噻吩环基团或取代或未取代的吡咯环基团；B代表取代或未取代的碳氢芳香环基团、取代或未取代的噻吩环基团或取代或未取代的吡咯环基团。由A和B代表的环直接连接；但是，A和B代表的结构不同。该化合物可以通过使用高价碘试剂进行偶联反应来制备。
• Metal-Free Oxidative Cross-Coupling of Unfunctionalized Aromatic Compounds
  作者：Yasuyuki Kita、Koji Morimoto、Motoki Ito、Chieko Ogawa、Akihiro Goto、Toshifumi Dohi

  DOI：10.1021/ja808940n

  日期：2009.2.11

  A new strategy for mixed biaryl synthesis has been developed using the hypervalent iodine(III) reagents. The unique reactivities of the sigma-heteroaryl iodine(III) intermediates generated in situ are the key element for the unusual metal catalyst-free transformations and strict control of the product selectivities.