ethyl 2-benzyl-3-(2-(cyclohexylidenemethyl)phenylamino)-3-oxopropanoate | 1374015-65-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: ethyl 2-benzyl-3-(2-(cyclohexylidenemethyl)phenylamino)-3-oxopropanoate
• 英文别名: Ethyl 2-benzyl-3-[2-(cyclohexylidenemethyl)anilino]-3-oxopropanoate；ethyl 2-benzyl-3-[2-(cyclohexylidenemethyl)anilino]-3-oxopropanoate
• CAS: 1374015-65-2
• 化学式: C₂₅H₂₉NO₃
• 分子量: 391.51
• InChiKey: KUMRTDIVRVWGTF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ethyl 2-benzyl-3-(2-(cyclohexylidenemethyl)phenylamino)-3-oxopropanoate 在 manganese(III) triacetate dihydrate 、 溶剂黄146 作用下， 反应 0.67h， 以17%的产率得到ethyl (6aR,12aS)-6-oxospiro[7,12a-dihydro-5H-benzo[j]phenanthridine-12,1'-cyclohexane]-6a-carboxylate
  参考文献：
  名称：

  Access to original spirocyclic derivatives via inter- or intramolecular reaction mediated by manganese(III) acetate

  摘要：

  An easily reproducible protocol allowing inter- or intramolecular spirocyclization on beta-dicarbonyl structures is described. This methodology could afford a wide variety of spirocyclic pharmacophores. As examples, highly substituted spirobenzophenanthridin-6(5H)-ones and spirolactones were synthesized. These scaffolds could be used for the design of many compounds exhibiting biological activities. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.03.004
• 作为产物：
  描述：

  硝基环己烷 在 4-二甲氨基吡啶 、 铁粉 、 sodium hydride 、 溶剂黄146 作用下， 以 二甲基亚砜 、 甲苯 为溶剂， 反应 18.08h， 生成 ethyl 2-benzyl-3-(2-(cyclohexylidenemethyl)phenylamino)-3-oxopropanoate
  参考文献：
  名称：

  Access to original spirocyclic derivatives via inter- or intramolecular reaction mediated by manganese(III) acetate

  摘要：

  An easily reproducible protocol allowing inter- or intramolecular spirocyclization on beta-dicarbonyl structures is described. This methodology could afford a wide variety of spirocyclic pharmacophores. As examples, highly substituted spirobenzophenanthridin-6(5H)-ones and spirolactones were synthesized. These scaffolds could be used for the design of many compounds exhibiting biological activities. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.03.004

文献信息

• Access to original spirocyclic derivatives via inter- or intramolecular reaction mediated by manganese(III) acetate
  作者：Ahlem Bouhlel、Christophe Curti、Michèle P. Bertrand、Patrice Vanelle

  DOI：10.1016/j.tet.2012.03.004

  日期：2012.5

  An easily reproducible protocol allowing inter- or intramolecular spirocyclization on beta-dicarbonyl structures is described. This methodology could afford a wide variety of spirocyclic pharmacophores. As examples, highly substituted spirobenzophenanthridin-6(5H)-ones and spirolactones were synthesized. These scaffolds could be used for the design of many compounds exhibiting biological activities. (C) 2012 Elsevier Ltd. All rights reserved.