5-[2-(1-(S)-benzyl-2-hydroxy-ethylcarbamoyl)-ethyl]-7-methoxy-2-phenylbenzo[b]furan-3-carboxylic acid, 2-(2-chloro-ethoxy)-ethyl ester

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 2-芳基苯并呋喃类黄酮
• 英文名称: 5-[2-(1-(S)-benzyl-2-hydroxy-ethylcarbamoyl)-ethyl]-7-methoxy-2-phenylbenzo[b]furan-3-carboxylic acid, 2-(2-chloro-ethoxy)-ethyl ester
• 英文别名: 2-(2-chloroethoxy)ethyl 5-[3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-oxopropyl]-7-methoxy-2-phenyl-1-benzofuran-3-carboxylate
• 化学式: C₃₂H₃₄ClNO₇
• 分子量: 580.077
• InChiKey: HFJQYZFVFMHHRZ-VWLOTQADSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  41
• 可旋转键数：
  16
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  107
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  一氧化碳 、 (s)-N-FMOC基苯丙氨醇 、 2-氯乙氧基乙醇 、 苯乙炔 、 3-[4-hydroxy-3-iodo-5-methoxyphenyl]propionic acid 生成 5-[2-(1-(S)-benzyl-2-hydroxy-ethylcarbamoyl)-ethyl]-7-methoxy-2-phenylbenzo[b]furan-3-carboxylic acid, 2-(2-chloro-ethoxy)-ethyl ester
  参考文献：
  名称：

  Palladium(II)-Mediated Cascade Carbonylative Annulation of o-Alkynyl-phenols on Silyl Linker-Based Macrobeads:  A Combinatorial Synthesis of a 2,3-Disubstituted Benzo[b]furan Library

  摘要：

  [GRAPHICS]A palladium(II)-mediated cascade carbonylative annulation of o-alkynylphenols was achieved successfully on silyl linker-based macrobeads, which led to an efficient combinatorial synthesis of a 2,3-disubstituted benzo[b]furan library.

  DOI：

  10.1021/ol020111y

文献信息

• Palladium(II)-Mediated Cascade Carbonylative Annulation of <i>o</i>-Alkynyl-phenols on Silyl Linker-Based Macrobeads:  A Combinatorial Synthesis of a 2,3-Disubstituted Benzo[<i>b</i>]furan Library
  作者：Yun Liao、Michael Reitman、Yan Zhang、Reza Fathi、Zhen Yang

  DOI：10.1021/ol020111y

  日期：2002.7.1

  [GRAPHICS]A palladium(II)-mediated cascade carbonylative annulation of o-alkynylphenols was achieved successfully on silyl linker-based macrobeads, which led to an efficient combinatorial synthesis of a 2,3-disubstituted benzo[b]furan library.