12,13-Diethyl-9-methyl-16-oxa-5,9-diazahexacyclo[12.12.0.02,11.03,8.017,26.020,25]hexacosa-1,3(8),4,6,11,13,17(26),18,20,22,24-undecaene | 1268070-11-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并吡喃类
• 英文名称: 12,13-Diethyl-9-methyl-16-oxa-5,9-diazahexacyclo[12.12.0.02,11.03,8.017,26.020,25]hexacosa-1,3(8),4,6,11,13,17(26),18,20,22,24-undecaene
• 英文别名: 12,13-diethyl-9-methyl-16-oxa-5,9-diazahexacyclo[12.12.0.02,11.03,8.017,26.020,25]hexacosa-1,3(8),4,6,11,13,17(26),18,20,22,24-undecaene
• CAS: 1268070-11-6
• 化学式: C₂₈H₂₆N₂O
• 分子量: 406.527
• InChiKey: FCQDMULOWKJPSI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  31
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  25.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  12,13-Diethyl-9-methyl-16-oxa-5,9-diazahexacyclo[12.12.0.02,11.03,8.017,26.020,25]hexacosa-1,3(8),4,6,11,13,17(26),18,20,22,24-undecaene 在 异丙胺 作用下， 以 乙醇 、 正己烷 为溶剂， 生成 C₂₈H₂₆N₂O 、 C₂₈H₂₆N₂O
  参考文献：
  名称：

  Design, Synthesis, and Evaluation of a Helicenoidal DMAP Lewis Base Catalyst

  摘要：

  The design, synthesis, and study of a helical dialkylaminopyridine Lewis base catalyst is reported. Helical DMAP analogue 4 is based upon a helicenoid structure and displays good to excellent levels of selectivity (S <= 116) in the kinetic resolution of chiral secondary alcohols. Catalyst 4 displays excellent reactivity with exceptionally low loadings of 0.05 mol % effecting practical levels of selectivity in kinetic resolutions.

  DOI：

  10.1021/ol2001705
• 作为产物：
  描述：

  N-methyl-N-(pent-2-yn-1-yl)-3-((2-(pent-2-yn-1-yloxy)naphthalen-1-yl)ethynyl)pyridin-4-amine 在 Wilkinson's catalyst 作用下， 以 1,4-二氧六环 为溶剂， 反应 16.0h， 以74%的产率得到12,13-Diethyl-9-methyl-16-oxa-5,9-diazahexacyclo[12.12.0.02,11.03,8.017,26.020,25]hexacosa-1,3(8),4,6,11,13,17(26),18,20,22,24-undecaene
  参考文献：
  名称：

  Design, Synthesis, and Evaluation of a Helicenoidal DMAP Lewis Base Catalyst

  摘要：

  The design, synthesis, and study of a helical dialkylaminopyridine Lewis base catalyst is reported. Helical DMAP analogue 4 is based upon a helicenoid structure and displays good to excellent levels of selectivity (S <= 116) in the kinetic resolution of chiral secondary alcohols. Catalyst 4 displays excellent reactivity with exceptionally low loadings of 0.05 mol % effecting practical levels of selectivity in kinetic resolutions.

  DOI：

  10.1021/ol2001705