22-Pyrrolidin-1-yl-4-azahexacyclo[12.12.0.02,11.03,8.017,26.020,25]hexacosa-1(14),2(11),3(8),4,6,9,12,15,17(26),18,20(25),21,23-tridecaene | 1427675-66-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 22-Pyrrolidin-1-yl-4-azahexacyclo[12.12.0.02,11.03,8.017,26.020,25]hexacosa-1(14),2(11),3(8),4,6,9,12,15,17(26),18,20(25),21,23-tridecaene
• 英文别名: 22-pyrrolidin-1-yl-4-azahexacyclo[12.12.0.02,11.03,8.017,26.020,25]hexacosa-1(14),2(11),3(8),4,6,9,12,15,17(26),18,20(25),21,23-tridecaene
• CAS: 1427675-66-8
• 化学式: C₂₉H₂₂N₂
• 分子量: 398.507
• InChiKey: FXNSIUNLBDMBHH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  31
• 可旋转键数：
  1
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  16.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  10-bromobenzo[h]quinoline 在 吡啶 、 正丁基锂 、 四丁基氟化铵 、 palladium diacetate 、 三氯化硼 、 氯化铂 、 四丁基碘化铵 、 caesium carbonate 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 作用下， 以 四氢呋喃 、 正己烷 、 正庚烷 、 二氯甲烷 、 1,2-二氯乙烷 、 甲苯 为溶剂， 反应 41.01h， 生成 22-Pyrrolidin-1-yl-4-azahexacyclo[12.12.0.02,11.03,8.017,26.020,25]hexacosa-1(14),2(11),3(8),4,6,9,12,15,17(26),18,20(25),21,23-tridecaene
  参考文献：
  名称：

  A Scalable and Expedient Route to 1-Aza[6]helicene Derivatives and Its Subsequent Application to a Chiral-Relay Asymmetric Strategy

  摘要：

  A rapid route to diversely functionalized 1-aza[6]helicenes has been achieved via the development of a copper-mediated cross-coupling reaction, followed by PtCl4-catalyzed cycloisomerization. Not only does this method allow access to these functionally important molecules on gram scale, but this strategy Is also suitable for relaying the axial chirality of a key intermediate to the helicity of the product.

  DOI：

  10.1021/ol400493x

文献信息

• A Scalable and Expedient Route to 1-Aza[6]helicene Derivatives and Its Subsequent Application to a Chiral-Relay Asymmetric Strategy
  作者：Marko Weimar、Rosenildo Correa da Costa、Fu-Howe Lee、Matthew J. Fuchter

  DOI：10.1021/ol400493x

  日期：2013.4.5

  A rapid route to diversely functionalized 1-aza[6]helicenes has been achieved via the development of a copper-mediated cross-coupling reaction, followed by PtCl4-catalyzed cycloisomerization. Not only does this method allow access to these functionally important molecules on gram scale, but this strategy Is also suitable for relaying the axial chirality of a key intermediate to the helicity of the product.