1-(phenyl-2-ethyl)-7-methyl-3,5-N,N-bis-<(S)-(1-benzylhydroxyethyl)aminocarbonyl>-pyrrolo<2,3-b>pyridinium iodide | 134172-74-0

• 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: 1-(phenyl-2-ethyl)-7-methyl-3,5-N,N-bis-<(S)-(1-benzylhydroxyethyl)aminocarbonyl>-pyrrolo<2,3-b>pyridinium iodide
• 英文别名: 3-N,5-N-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]-7-methyl-1-(2-phenylethyl)pyrrolo[2,3-b]pyridin-7-ium-3,5-dicarboxamide;iodide
• CAS: 134172-74-0
• 化学式: C₃₆H₃₉N₄O₄*I
• 分子量: 718.635
• InChiKey: HNZZBLFUNXUWFA-PNXDLZEOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.38
• 重原子数：
  45
• 可旋转键数：
  13
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  108
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(phenyl-2-ethyl)-7-methyl-3,5-N,N-bis-<(S)-(1-benzylhydroxyethyl)aminocarbonyl>-pyrrolo<2,3-b>pyridinium iodide 在 sodium dithionite 、 sodium carbonate 作用下， 以 甲醇 、 水 为溶剂， 反应 12.0h， 以93%的产率得到1-(phenyl-2-ethyl)-7-methyl-3,5-N,N-bis-<(S)-(1-benzylhydroxyethyl)aminocarbonyl>-4,7-dihydropyrrolo<2,3-b>pyridine
  参考文献：
  名称：

  Broadening in the scope of NADH models by using chiral and non chiral pyrrolo [2,3-bl pyridine derivatives.

  摘要：

  Non chiral and chiral NADH models in the pyrrolo [2,3-b] pyridine series have been synthesized. These reagents 1) allow reductions of substrates previously found to be non reducible with similar reagents, 2) can give either one enantiomer or the other during the reduction of a prochiral ketone depending on the experimental conditions, 3) can be used in the synthesis of chiral precursors of target molecules obtained with good enantiomeric excesses.

  DOI：

  10.1016/s0040-4020(01)90500-9
• 作为产物：
  描述：

  1-Phenethyl-1H-pyrrolo[2,3-b]pyridine-3,5-dicarboxylic acid 在 氯化亚砜 、 三乙胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 216.0h， 生成 1-(phenyl-2-ethyl)-7-methyl-3,5-N,N-bis-<(S)-(1-benzylhydroxyethyl)aminocarbonyl>-pyrrolo<2,3-b>pyridinium iodide
  参考文献：
  名称：

  Broadening in the scope of NADH models by using chiral and non chiral pyrrolo [2,3-bl pyridine derivatives.

  摘要：

  Non chiral and chiral NADH models in the pyrrolo [2,3-b] pyridine series have been synthesized. These reagents 1) allow reductions of substrates previously found to be non reducible with similar reagents, 2) can give either one enantiomer or the other during the reduction of a prochiral ketone depending on the experimental conditions, 3) can be used in the synthesis of chiral precursors of target molecules obtained with good enantiomeric excesses.

  DOI：

  10.1016/s0040-4020(01)90500-9

文献信息

• DEVACHER;BENOIT, R.;DUFLOS, J.;DUPAS, G.;BOURGUIGNON, J.;QUEGUINER, G., TETRAHEDRON, 47,(1991) N, C. 429-440
  作者：DEVACHER、BENOIT, R.、DUFLOS, J.、DUPAS, G.、BOURGUIGNON, J.、QUEGUINER, G.

  DOI：——

  日期：——