(3R)-3-(1H-indol-3-yl)-3-[2-(4-methoxyanilino)-4,4-dimethyl-6-oxocyclohexen-1-yl]-1-methylindol-2-one | 1607027-05-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: (3R)-3-(1H-indol-3-yl)-3-[2-(4-methoxyanilino)-4,4-dimethyl-6-oxocyclohexen-1-yl]-1-methylindol-2-one
• CAS: 1607027-05-3
• 化学式: C₃₂H₃₁N₃O₃
• 分子量: 505.616
• InChiKey: JCOYGWNWICRTDU-YTTGMZPUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  38
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  74.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-[(4-甲氧苯基)氨基]-5,5-二甲基-1-环己-2-烯酮 、 3-hydroxy-3-(1H-indol-3-yl)-1-methylindolin-2-one 在 (S)-3,3'-双(9-蒽基)-1,1'-联萘-2,2'-二基磷酸氢酯 作用下， 以 氯仿 为溶剂， 反应 16.0h， 以98%的产率得到
  参考文献：
  名称：

  Catalytic Asymmetric Aza-ene Reaction of 3-Indolylmethanols with Cyclic Enaminones: Enantioselective Approach to C3-Functionalized Indoles

  摘要：

  The catalytic asymmetric aza-ene reactions of 3-indolylmethanols with cyclic enaminones and the highly enantioselective aza-ene reactions utilizing cyclic aza-ene components have been established, which directly assemble isatin-derived 3-indolylmethanols and dimedone-derived enaminones into C3-functionalized chiral indoles with one all-carbon quaternary stereogenic center in high yields and excellent enantioselectivities (up to 99% yield, up to 95:5 er).

  DOI：

  10.1021/jo500644v

文献信息

• Catalytic Asymmetric Aza-ene Reaction of 3-Indolylmethanols with Cyclic Enaminones: Enantioselective Approach to C3-Functionalized Indoles
  作者：Wei Tan、Bai-Xiang Du、Xin Li、Xu Zhu、Feng Shi、Shu-Jiang Tu

  DOI：10.1021/jo500644v

  日期：2014.5.16

  The catalytic asymmetric aza-ene reactions of 3-indolylmethanols with cyclic enaminones and the highly enantioselective aza-ene reactions utilizing cyclic aza-ene components have been established, which directly assemble isatin-derived 3-indolylmethanols and dimedone-derived enaminones into C3-functionalized chiral indoles with one all-carbon quaternary stereogenic center in high yields and excellent enantioselectivities (up to 99% yield, up to 95:5 er).