ethyl (1R,9R)-10-(4-methoxyphenyl)-9-methyl-8-oxa-10,11-diazatricyclo[7.3.1.02,7]trideca-2,4,6,11-tetraene-12-carboxylate | 1450908-70-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: ethyl (1R,9R)-10-(4-methoxyphenyl)-9-methyl-8-oxa-10,11-diazatricyclo[7.3.1.02,7]trideca-2,4,6,11-tetraene-12-carboxylate
• CAS: 1450908-70-9
• 化学式: C₂₁H₂₂N₂O₄
• 分子量: 366.417
• InChiKey: WLTNHAJCLGOPPN-DYESRHJHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  60.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-甲氧基苯肼盐酸盐 在 (S)-N¹-cyclohexyl-3,3-dimethylbutane-1,2-diamine 、 三乙胺 、 邻氟苯甲酸 作用下， 以 四氢呋喃 为溶剂， 反应 72.0h， 生成 ethyl (1R,9R)-10-(4-methoxyphenyl)-9-methyl-8-oxa-10,11-diazatricyclo[7.3.1.02,7]trideca-2,4,6,11-tetraene-12-carboxylate
  参考文献：
  名称：

  Catalytic Asymmetric Construction of Chiral Hydropyridazines via Conjugate Addition of N-Monosubstituted Hydrazones to Enones

  摘要：

  The first example of a highly enantioselective and scalable formal diaza-ene reaction between N-monosubstituted hydrazones and enones catalyzed by a simple chiral primary-second diamine salt has been developed. The catalytic process provides a highly practical and stereoselective synthetic method for chiral hydropyridazines.

  DOI：

  10.1021/ol4020865

文献信息

• Catalytic Asymmetric Construction of Chiral Hydropyridazines <i>via</i> Conjugate Addition of <i>N</i>-Monosubstituted Hydrazones to Enones
  作者：Wenbin Wu、Xiaoqian Yuan、Juan Hu、Xinxin Wu、Yuan Wei、Zunwu Liu、Junzhu Lu、Jinxing Ye

  DOI：10.1021/ol4020865

  日期：2013.9.6

  The first example of a highly enantioselective and scalable formal diaza-ene reaction between N-monosubstituted hydrazones and enones catalyzed by a simple chiral primary-second diamine salt has been developed. The catalytic process provides a highly practical and stereoselective synthetic method for chiral hydropyridazines.