19-cyclohexyl-3,6,13,16-tetraoxa-19-aza-tricyclo[16.2.2.0^7,12]docosa-1(21),7(12),8,10,18(22)-pentaen-20-one

• 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: 19-cyclohexyl-3,6,13,16-tetraoxa-19-aza-tricyclo[16.2.2.0^7,12]docosa-1(21),7(12),8,10,18(22)-pentaen-20-one
• 英文别名: 19-Cyclohexyl-3,6,13,16-tetraoxa-19-azatricyclo[16.2.2.07,12]docosa-1(21),7,9,11,18(22)-pentaen-20-one；19-cyclohexyl-3,6,13,16-tetraoxa-19-azatricyclo[16.2.2.07,12]docosa-1(21),7,9,11,18(22)-pentaen-20-one
• 化学式: C₂₃H₂₉NO₅
• 分子量: 399.487
• InChiKey: YNHFXAGJFOPDRW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  29
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  57.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  环己基异氰酸酯 、 1,2-Bis-(2-prop-2-ynyloxy-ethoxy)-benzene 在 carbon monoxide,cobalt,cyclopenta-1,3-diene 作用下， 以 乙二醇二甲醚 为溶剂， 以60%的产率得到19-cyclohexyl-3,6,13,16-tetraoxa-19-aza-tricyclo[16.2.2.0^7,12]docosa-1(21),7(12),8,10,18(22)-pentaen-20-one
  参考文献：
  名称：

  Cobalt-Mediated Macrocyclizations. Facile Synthesis of 2-Oxo Pyridinophanes via [2 + 2 + 2] Cycloaddition of α,ω-Diynes and Isocyanates

  摘要：

  Cobalt-mediated [2 + 2 + 2] cycloaddition of alpha,omega-diynes and isocyanates provides a direct approach to macrocyclic 2-oxopyridinophanes. This macrocyclization process, which proceeded most efficiently with aliphatic isocyanates, was conveniently performed at a moderate temperature (85degreesC) without irradiation or syringe-pump addition.

  DOI：

  10.1021/ol030096c

文献信息

• Cobalt-Mediated Macrocyclizations. Facile Synthesis of 2-Oxo Pyridinophanes via [2 + 2 + 2] Cycloaddition of α,ω-Diynes and Isocyanates
  作者：Llorente V. R. Boñaga、Han-Cheng Zhang、Diane A. Gauthier、Indrasena Reddy、Bruce E. Maryanoff

  DOI：10.1021/ol030096c

  日期：2003.11.1

  Cobalt-mediated [2 + 2 + 2] cycloaddition of alpha,omega-diynes and isocyanates provides a direct approach to macrocyclic 2-oxopyridinophanes. This macrocyclization process, which proceeded most efficiently with aliphatic isocyanates, was conveniently performed at a moderate temperature (85degreesC) without irradiation or syringe-pump addition.