| 1356601-55-2

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• CAS: 1356601-55-2
• 化学式: C₂₁H₂₉N₃O₇
• 分子量: 435.477
• InChiKey: CGFYUAIHNGKTIP-DOXZYTNZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.72
• 重原子数：
  31.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  111.45
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  在 tin(II) chloride dihdyrate 作用下， 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Build/Couple/Pair Strategy for the Synthesis of Stereochemically Diverse Macrolactams via Head-to-Tail Cyclization

  摘要：

  A build/couple/pair (B/C/P) strategy was employed to generate a library of 7936 stereochernically diverse 12-membered macrolactams. All 8 stereoisomers of a common linear amine precursor were elaborated to form the corresponding 8 stereoisomers of two regioisomeric macrocyclic scaffolds via head-to-tail cyclization. Subsequently,these 16 scaffolds were further diversified via capping of two amine functionalities on SynPhase Lanterns. Reagents used for solid-phase diversification were selected using a sparse matrix design strategy with the aim of maximizing coverage of chemical space while adhering to a preset range of physicochemical properties.

  DOI：

  10.1021/co200161z
• 作为产物：
  描述：

  在 双(2-氧代-3-恶唑烷基)次磷酰氯 、 苯甲醚 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Build/Couple/Pair Strategy for the Synthesis of Stereochemically Diverse Macrolactams via Head-to-Tail Cyclization

  摘要：

  A build/couple/pair (B/C/P) strategy was employed to generate a library of 7936 stereochernically diverse 12-membered macrolactams. All 8 stereoisomers of a common linear amine precursor were elaborated to form the corresponding 8 stereoisomers of two regioisomeric macrocyclic scaffolds via head-to-tail cyclization. Subsequently,these 16 scaffolds were further diversified via capping of two amine functionalities on SynPhase Lanterns. Reagents used for solid-phase diversification were selected using a sparse matrix design strategy with the aim of maximizing coverage of chemical space while adhering to a preset range of physicochemical properties.

  DOI：

  10.1021/co200161z