4-(环丙烷羰基氨基)苯甲酸乙酯 | 14372-26-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-(环丙烷羰基氨基)苯甲酸乙酯
• 英文名称: Ethyl 4-(cyclopropanecarbonylamino)benzoate
• CAS: 14372-26-0
• 化学式: C₁₃H₁₅NO₃
• mdl: MFCD00450771
• 分子量: 233.267
• InChiKey: FFEJMKMYJLKOID-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.384
• 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：

  4-甲基-2-甲硫基嘧啶 、 4-(环丙烷羰基氨基)苯甲酸乙酯 在 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 以98%的产率得到N-(4-(2-(2-(methylthio)pyrimidin-4-yl)acetyl)phenyl)cyclopropanecarboxamide
  参考文献：
  名称：

  Two convenient regioselective syntheses of 1-N-alkyl-3-aryl-4-[pyrimidin-4-yl]-pyrazoles

  摘要：

  Two regioselective synthetic routes for 1-N-alkyl-3-aryl-4-[pyrimidin-4-yl]-pyrazoles of generic formula 1 were developed. These highly efficient and scalable routes circumvent the generally observed poor regioselectivity for the pyrazole alkylation. Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2008.12.113
• 作为产物：
  描述：

  环丙基甲酰氯 、 苯佐卡因 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以93%的产率得到4-(环丙烷羰基氨基)苯甲酸乙酯
  参考文献：
  名称：

  Two convenient regioselective syntheses of 1-N-alkyl-3-aryl-4-[pyrimidin-4-yl]-pyrazoles

  摘要：

  Two regioselective synthetic routes for 1-N-alkyl-3-aryl-4-[pyrimidin-4-yl]-pyrazoles of generic formula 1 were developed. These highly efficient and scalable routes circumvent the generally observed poor regioselectivity for the pyrazole alkylation. Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2008.12.113

文献信息

• Two convenient regioselective syntheses of 1-N-alkyl-3-aryl-4-[pyrimidin-4-yl]-pyrazoles
  作者：Jeffrey M. Ralph、Thomas H. Faitg、Domingos J. Silva、Yanhong Feng、Charles W. Blackledge、Jerry L. Adams

  DOI：10.1016/j.tetlet.2008.12.113

  日期：2009.4

  Two regioselective synthetic routes for 1-N-alkyl-3-aryl-4-[pyrimidin-4-yl]-pyrazoles of generic formula 1 were developed. These highly efficient and scalable routes circumvent the generally observed poor regioselectivity for the pyrazole alkylation. Published by Elsevier Ltd.