Ethyl 4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate | 341965-86-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酰胺类
• 英文名称: Ethyl 4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate
• CAS: 341965-86-4
• 化学式: C₁₄H₁₇NO₃
• 分子量: 247.294
• InChiKey: LCDLVNFLVOQOST-UHFFFAOYSA-N

物化性质

• 沸点：
  434.7±28.0 °C(Predicted)
• 密度：
  1.147±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(pyridin-2-ylethynyl)aniline 、 Ethyl 4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate 以40.5 %的产率得到4-(3,3-dimethyl-2-oxoazetidin-1-yl)-N-(3-(pyridin-2-ylethynyl)phenyl)benzamide
  参考文献：
  名称：

  SUBSTITUTED PHENYL ET458HYNYL PYRIDINE CARBOXAMIDES AS POTENT INHIBITORS OF SARS VIRUS

  摘要：

  The present disclosure is concerned with substituted phenyl ethynyl pyridine carboxamide compounds, pharmaceutical compositions comprising the compounds, and methods of treating viral infections due to a Coronavirus such as, for example, Middle East respiratory syndrome coronavirus (MERS-CoV), severe acute respiratory syndrome coronavirus (SARS-CoV), and severe acute respiratory syndrome coronavirus disease 2019 (SARS-CoV-2), using the compounds. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

  公开号：

  US20230192733A1
• 作为产物：
  描述：

  ethyl 4-(3-bromo-2,2-dimethylpropanamido)benzoate 在 sodium t-butanolate 作用下， 以75 %的产率得到Ethyl 4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzoate
  参考文献：
  名称：

  SUBSTITUTED PHENYL ET458HYNYL PYRIDINE CARBOXAMIDES AS POTENT INHIBITORS OF SARS VIRUS

  摘要：

  The present disclosure is concerned with substituted phenyl ethynyl pyridine carboxamide compounds, pharmaceutical compositions comprising the compounds, and methods of treating viral infections due to a Coronavirus such as, for example, Middle East respiratory syndrome coronavirus (MERS-CoV), severe acute respiratory syndrome coronavirus (SARS-CoV), and severe acute respiratory syndrome coronavirus disease 2019 (SARS-CoV-2), using the compounds. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

  公开号：

  US20230192733A1