4-[(3R)-1-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-4,4-dimethyl-2-oxopyrrolidin-3-yl]oxy-2-(difluoromethyl)benzonitrile | 1332653-13-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-[(3R)-1-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-4,4-dimethyl-2-oxopyrrolidin-3-yl]oxy-2-(difluoromethyl)benzonitrile
• CAS: 1332653-13-0
• 化学式: C₂₈H₃₆F₂N₂O₃Si
• 分子量: 514.688
• InChiKey: IBIOISOGCBPVTH-ZEQRLZLVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.87
• 重原子数：
  36
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  62.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-[(3R)-1-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-4,4-dimethyl-2-oxopyrrolidin-3-yl]oxy-2-(difluoromethyl)benzonitrile 在 四丁基氟化铵 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  An efficient synthesis of highly functionalized chiral lactams

  摘要：

  A new method was developed to synthesize highly functionalized lactams via a one pot reductive amination/lactam formation reaction. This methodology is amenable for parallel synthesis and was used to prepare a large number of lactam analogs in a library format with good ee (de) retention. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.07.021
• 作为产物：
  描述：

  O-benzyl-(R)-pantolactone 在 草酰氯 、 palladium on activated charcoal 、 氢气 、 异丙基氯化镁 、 三乙酰氧基硼氢化钠 、 caesium carbonate 、 溶剂黄146 、 二甲基亚砜 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 乙腈 为溶剂， 反应 25.83h， 生成 4-[(3R)-1-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-4,4-dimethyl-2-oxopyrrolidin-3-yl]oxy-2-(difluoromethyl)benzonitrile
  参考文献：
  名称：

  An efficient synthesis of highly functionalized chiral lactams

  摘要：

  A new method was developed to synthesize highly functionalized lactams via a one pot reductive amination/lactam formation reaction. This methodology is amenable for parallel synthesis and was used to prepare a large number of lactam analogs in a library format with good ee (de) retention. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.07.021

文献信息

• An efficient synthesis of highly functionalized chiral lactams
  作者：Martha A. Ornelas、Javier Gonzalez、Neal W. Sach、Paul F. Richardson、Kevin D. Bunker、Angelica Linton、Susan E. Kephart、Mason Pairish、Chuangxing Guo

  DOI：10.1016/j.tetlet.2011.07.021

  日期：2011.9

  A new method was developed to synthesize highly functionalized lactams via a one pot reductive amination/lactam formation reaction. This methodology is amenable for parallel synthesis and was used to prepare a large number of lactam analogs in a library format with good ee (de) retention. (C) 2011 Elsevier Ltd. All rights reserved.