6,7-dimethyl-N-pentyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaene-11-carboxamide | 1386393-44-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 6,7-dimethyl-N-pentyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaene-11-carboxamide
• CAS: 1386393-44-7
• 化学式: C₂₆H₂₇N₃O
• 分子量: 397.52
• InChiKey: IYIOCMKYMKDOQD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  46.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  在 三氟乙酸 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 0.25h， 生成 6,7-dimethyl-N-pentyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaene-11-carboxamide
  参考文献：
  名称：

  General One-pot, Two-Step Protocol Accessing a Range of Novel Polycyclic Heterocycles with High Skeletal Diversity

  摘要：

  An Ugi one-pot three-component four-center reaction was coupled with a subsequent acid mediated cyclodehydration step to furnish a multitude of unique scaffolds having in common an embedded or attached benzimidazole and often a ring system formed through lactamization. Using combinations of tethered Ugi inputs typically via tethered acid-ketone inputs and supporting reagents containing masked internal nucleophiles, such scaffolds were produced in good to excellent yields in an operationally friendly manner.

  DOI：

  10.1021/co300046r