4-[4-(1-Triisopropylsilanyl-1H-pyrrol-3-yl)-phenyl]-morpholine | 773851-28-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 4-[4-(1-Triisopropylsilanyl-1H-pyrrol-3-yl)-phenyl]-morpholine
• 英文别名: [3-(4-morpholin-4-ylphenyl)pyrrol-1-yl]-tri(propan-2-yl)silane
• CAS: 773851-28-8
• 化学式: C₂₃H₃₆N₂OSi
• 分子量: 384.637
• InChiKey: BVDSIMREXYETHH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.02
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  17.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-[4-(1-Triisopropylsilanyl-1H-pyrrol-3-yl)-phenyl]-morpholine 在 四丁基氟化铵 作用下， 生成 4-[4-(1H-pyrrol-3-yl)phenyl]morpholine
  参考文献：
  名称：

  Discovery of isoxazolinone antibacterial agents. Nitrogen as a replacement for the stereogenic center found in oxazolidinone antibacterials

  摘要：

  A series of potential antimicrobial derivatives possessing bioisosteric replacements for the central oxazolidinone ring found in oxazolidinone antibacterials have been prepared. The design concept involved replacement of the requisite SP3-hybridized stereogenic center found at the 5-position of the oxazolidinone with a nitrogen atom. The synthesis and antibacterial activity of three such ring systems, the benzisoxazolinones, pyrroles, and isoxazolinones is described. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.06.076
• 作为产物：
  描述：

  1-(三异丙基硅烷基)吡咯-3-硼酸 、 alkaline earth salt of/the/ methylsulfuric acid 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 甲醇 为溶剂， 以40%的产率得到4-[4-(1-Triisopropylsilanyl-1H-pyrrol-3-yl)-phenyl]-morpholine
  参考文献：
  名称：

  Discovery of isoxazolinone antibacterial agents. Nitrogen as a replacement for the stereogenic center found in oxazolidinone antibacterials

  摘要：

  A series of potential antimicrobial derivatives possessing bioisosteric replacements for the central oxazolidinone ring found in oxazolidinone antibacterials have been prepared. The design concept involved replacement of the requisite SP3-hybridized stereogenic center found at the 5-position of the oxazolidinone with a nitrogen atom. The synthesis and antibacterial activity of three such ring systems, the benzisoxazolinones, pyrroles, and isoxazolinones is described. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.06.076