Ethyl 7-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-oxobenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate | 881633-01-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: Ethyl 7-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-oxobenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate
• CAS: 881633-01-8
• 化学式: C₂₇H₃₁N₅O₅
• 分子量: 505.574
• InChiKey: XSVJBMVKNCTBFL-UHFFFAOYSA-N

物化性质

• 沸点：
  651.6±55.0 °C(Predicted)
• 密度：
  1.37±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  95.5
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  1-(2-氨乙基)吡咯烷 、 Ethyl 7-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-oxobenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxylate 在 aluminum (III) chloride 作用下， 以 二氯甲烷 为溶剂， 以70%的产率得到Tert-butyl 4-[7-methyl-5-oxo-6-(2-pyrrolidin-1-ylethylcarbamoyl)benzimidazolo[1,2-a][1,8]naphthyridin-2-yl]piperazine-1-carboxylate
  参考文献：
  名称：

  Facile and efficient generation of quinolone amides from esters using aluminum chloride

  摘要：

  Quinolone esters are readily converted into the corresponding amides using aluminum chloride at room temperature in excellent yields and purities. The method is both general and scalable to multi-kilogram quantities. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.12.108

文献信息

• METHODS FOR TARGETING QUADRUPLEX SEQUENCES
  申请人：O'Brien Sean

  公开号：US20090291437A1

  公开（公告）日：2009-11-26

  Provided are quadruplex nucleotide sequences and methods for identifying interacting molecules.
• US7816406B2
  申请人：——

  公开号：US7816406B2

  公开（公告）日：2010-10-19
• Facile and efficient generation of quinolone amides from esters using aluminum chloride
  作者：Michael K. Schwaebe、David M. Ryckman、Johnny Y. Nagasawa、Fabrice Pierre、Anne Vialettes、Mustapha Haddach

  DOI：10.1016/j.tetlet.2010.12.108

  日期：2011.3

  Quinolone esters are readily converted into the corresponding amides using aluminum chloride at room temperature in excellent yields and purities. The method is both general and scalable to multi-kilogram quantities. (C) 2011 Elsevier Ltd. All rights reserved.