Ethyl 5-methoxy-5-methyl-2-oxo-10,12-diphenyl-9-azatricyclo[6.4.1.04,13]trideca-1(12),6,8(13),9-tetraene-11-carboxylate | 1445592-68-6

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: Ethyl 5-methoxy-5-methyl-2-oxo-10,12-diphenyl-9-azatricyclo[6.4.1.04,13]trideca-1(12),6,8(13),9-tetraene-11-carboxylate
• CAS: 1445592-68-6
• 化学式: C₂₉H₂₇NO₄
• 分子量: 453.538
• InChiKey: SMELUMUGYSZXPQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  65
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Ethyl 5-methoxy-5-methyl-2-oxo-10,12-diphenyl-9-azatricyclo[6.4.1.04,13]trideca-1(12),6,8(13),9-tetraene-11-carboxylate 在 三氟化硼乙醚 作用下， 以 1,4-二氧六环 为溶剂， 以63 mg的产率得到Ethyl 5-methyl-2-oxo-10,12-diphenyl-9-azatricyclo[6.4.1.04,13]trideca-1(12),4,6,8(13),9-pentaene-11-carboxylate
  参考文献：
  名称：

  Dearomatization Strategy of β-Enamino Ester: Construction of Indenoazepines via Tandem Michael Addition/Polycyclization

  摘要：

  A dearomatization strategy of beta-enamino esters was developed to construct indenoazepine derivatives. The oxidative dearomatization was combined with a base-promoted tandem Michael addition/polycyclization and an acid-catalyzed aromatization. The nonaromatic structure of the Michael adducts might be essential to the realization of the 7-endo-dig cyclization.

  DOI：

  10.1021/ol401553n
• 作为产物：
  描述：

  在 sodium hydride 作用下， 以 1,4-二氧六环 为溶剂， 反应 24.0h， 以44%的产率得到Ethyl 5-methoxy-5-methyl-2-oxo-10,12-diphenyl-9-azatricyclo[6.4.1.04,13]trideca-1(12),6,8(13),9-tetraene-11-carboxylate
  参考文献：
  名称：

  Dearomatization Strategy of β-Enamino Ester: Construction of Indenoazepines via Tandem Michael Addition/Polycyclization

  摘要：

  A dearomatization strategy of beta-enamino esters was developed to construct indenoazepine derivatives. The oxidative dearomatization was combined with a base-promoted tandem Michael addition/polycyclization and an acid-catalyzed aromatization. The nonaromatic structure of the Michael adducts might be essential to the realization of the 7-endo-dig cyclization.

  DOI：

  10.1021/ol401553n