(3aR,6aS,3a'R,6a'S)-3,3'-oxybis{2-[(1R)-1-phenylethyl]-3,3a,6,6a-tetrahydrocyclopenta[c]pyrrol-1(2H)-one} | 1192489-62-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: (3aR,6aS,3a'R,6a'S)-3,3'-oxybis{2-[(1R)-1-phenylethyl]-3,3a,6,6a-tetrahydrocyclopenta[c]pyrrol-1(2H)-one}
• CAS: 1192489-62-5
• 化学式: C₃₀H₃₂N₂O₃
• 分子量: 468.596
• InChiKey: RCAVVUCPSRXVCW-FVNBZUAASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.25
• 重原子数：
  35.0
• 可旋转键数：
  6.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  49.85
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (3aR,6aS,3a'R,6a'S)-3,3'-oxybis{2-[(1R)-1-phenylethyl]-3,3a,6,6a-tetrahydrocyclopenta[c]pyrrol-1(2H)-one} 在 iron(III) chloride 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 2.0h， 以95%的产率得到(3aR,6aS)-3S-hydroxy-2-[(1R)-phenylethyl]-3,3a,6,6a-tetrahydrocyclopenta[c]pyrrol-1(2H)-one
  参考文献：
  名称：

  Features of catalyzed hydration of 2-(dichloromethyl)-N-[(1R)-1-phenylethyl)]cyclopent-3-ene-1-carboxamides

  摘要：

  The hydration of gem-dichloromethyl group in 2-(dichloromethyl)-N-[(1R)-1-phenylethyl)]cyclopent-3-ene-1-carboxamides in aqueous acetonitrile catalyzed by AgNO3, FeCl3 center dot 6H(2)O, PdCl2, and BaO was investigated. The optimum results were obtained at the use of BaO. It was demonstrated, that Pd-catalyzed reactions initiated intermolecular ether formation from the primary hydration products, bicyclic amides.

  DOI：

  10.1134/s107042800905008x
• 作为产物：
  描述：

  (3aR,6aS)-3S-hydroxy-2-[(1R)-phenylethyl]-3,3a,6,6a-tetrahydrocyclopenta[c]pyrrol-1(2H)-one 在 palladium dichloride 作用下， 以 水 、 乙腈 为溶剂， 反应 2.0h， 以98%的产率得到(3aR,6aS,3a'R,6a'S)-3,3'-oxybis{2-[(1R)-1-phenylethyl]-3,3a,6,6a-tetrahydrocyclopenta[c]pyrrol-1(2H)-one}
  参考文献：
  名称：

  Features of catalyzed hydration of 2-(dichloromethyl)-N-[(1R)-1-phenylethyl)]cyclopent-3-ene-1-carboxamides

  摘要：

  The hydration of gem-dichloromethyl group in 2-(dichloromethyl)-N-[(1R)-1-phenylethyl)]cyclopent-3-ene-1-carboxamides in aqueous acetonitrile catalyzed by AgNO3, FeCl3 center dot 6H(2)O, PdCl2, and BaO was investigated. The optimum results were obtained at the use of BaO. It was demonstrated, that Pd-catalyzed reactions initiated intermolecular ether formation from the primary hydration products, bicyclic amides.

  DOI：

  10.1134/s107042800905008x