| 1052094-57-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• CAS: 1052094-57-1
• 化学式: C₂₀H₂₇NO₄Si
• 分子量: 373.524
• InChiKey: RUECZXVCBAGQDT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.69
• 重原子数：
  26.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  57.53
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  在 氢氟酸 、 碳酸氢钠 作用下， 以 乙腈 、 水 为溶剂， 反应 4.0h， 以87%的产率得到
  参考文献：
  名称：

  Synthesis of an Azide-Tagged Library of 2,3-Dihydro-4-quinolones

  摘要：

  We describe the assembly of a 960-member library of tricyclic 2,3-dihydro-4-quinolones using a combination of solution-phase high-throughput organic synthesis and parallel chromatographic purification. The library was produced with high efficiency and complete chemo- and diastereoselectivity by diversification of an azide-buffing quinolone via a sequence of [4 + 2] cycloadditions, N-acylations, and reductive aminations. The azide-functionalization of this library is designed to facilitate subsequent preparation of fluorescent or affinity probes, as well as small-molecule/surface conjugation.

  DOI：

  10.1021/jo9025447
• 作为产物：
  描述：

  、 氯甲酸烯丙酯 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 以92%的产率得到
  参考文献：
  名称：

  Synthesis of an Azide-Tagged Library of 2,3-Dihydro-4-quinolones

  摘要：

  We describe the assembly of a 960-member library of tricyclic 2,3-dihydro-4-quinolones using a combination of solution-phase high-throughput organic synthesis and parallel chromatographic purification. The library was produced with high efficiency and complete chemo- and diastereoselectivity by diversification of an azide-buffing quinolone via a sequence of [4 + 2] cycloadditions, N-acylations, and reductive aminations. The azide-functionalization of this library is designed to facilitate subsequent preparation of fluorescent or affinity probes, as well as small-molecule/surface conjugation.

  DOI：

  10.1021/jo9025447