1-nitro-2-((1-nitrocyclopentyl)methyl)benzene | 1374015-56-1

• 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: 1-nitro-2-((1-nitrocyclopentyl)methyl)benzene
• 英文别名: 1-Nitro-2-[(1-nitrocyclopentyl)methyl]benzene；1-nitro-2-[(1-nitrocyclopentyl)methyl]benzene
• CAS: 1374015-56-1
• 化学式: C₁₂H₁₄N₂O₄
• 分子量: 250.254
• InChiKey: FBKXTVGZSQEGBQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  91.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-nitro-2-((1-nitrocyclopentyl)methyl)benzene 在 铁粉 、 sodium hydride 、 溶剂黄146 作用下， 以 二甲基亚砜 为溶剂， 生成 2-(cyclopentylidenemethyl)aniline
  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：

  2-硝基苄氯 、 硝基环戊烷 在 sodium hydride 作用下， 以 二甲基亚砜 为溶剂， 反应 18.0h， 生成 1-nitro-2-((1-nitrocyclopentyl)methyl)benzene
  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