Ethyl 2-amino-5-(2-trimethylsilylethynyl)benzoate | 870621-97-9

• 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-amino-5-(2-trimethylsilylethynyl)benzoate
• 英文别名: ethyl 2-amino-5-(2-trimethylsilylethynyl)benzoate
• CAS: 870621-97-9
• 化学式: C₁₄H₁₉NO₂Si
• 分子量: 261.396
• InChiKey: DXXQLVKNISEYMS-UHFFFAOYSA-N

物化性质

• 沸点：
  345.0±42.0 °C(Predicted)
• 密度：
  1.06±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.67
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Ethyl 2-amino-5-(2-trimethylsilylethynyl)benzoate 在 potassium carbonate 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 、 氯仿 为溶剂， 反应 5.0h， 生成 Ethyl 2-[[4-[(2-ethoxycarbonyl-4-ethynylphenyl)carbamoyl]-2,5-dihexoxybenzoyl]amino]-5-ethynylbenzoate
  参考文献：
  名称：

  Hydrogen bonding-mediated self-assembly of square and triangular metallocyclophanes

  摘要：

  Intramolecular three-centered hydrogen bonding has been used to induce dipyridyl anthranilamide 5 and diphenylacetylene anthranilamide 11 to adopt rigid straight conformation. Compound 5 reacted with Pd(dppp)(OTf)(2) (12a) or Pt(dppp)(OTf)(2) (12b) in dichloromethane to afford square metallocyclophanes 13a and 13b in 70% and 40% yield, respectively. In contrast, the reaction of 11 with 12b in dichloromethane gave triangular metallocyclophane 14 in 15% yield. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.06.173
• 作为产物：
  描述：

  2-氨基苯甲酸乙酯 在 四(三苯基膦)钯 copper(l) iodide 、 碘 、 silver sulfate 作用下， 以 乙醇 、 三乙胺 为溶剂， 反应 5.0h， 生成 Ethyl 2-amino-5-(2-trimethylsilylethynyl)benzoate
  参考文献：
  名称：

  Hydrogen bonding-mediated self-assembly of square and triangular metallocyclophanes

  摘要：

  Intramolecular three-centered hydrogen bonding has been used to induce dipyridyl anthranilamide 5 and diphenylacetylene anthranilamide 11 to adopt rigid straight conformation. Compound 5 reacted with Pd(dppp)(OTf)(2) (12a) or Pt(dppp)(OTf)(2) (12b) in dichloromethane to afford square metallocyclophanes 13a and 13b in 70% and 40% yield, respectively. In contrast, the reaction of 11 with 12b in dichloromethane gave triangular metallocyclophane 14 in 15% yield. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.06.173

文献信息

• Hydrogen bonding-mediated self-assembly of square and triangular metallocyclophanes
  作者：Zong-Quan Wu、Xi-Kui Jiang、Zhan-Ting Li

  DOI：10.1016/j.tetlet.2005.06.173

  日期：2005.11

  Intramolecular three-centered hydrogen bonding has been used to induce dipyridyl anthranilamide 5 and diphenylacetylene anthranilamide 11 to adopt rigid straight conformation. Compound 5 reacted with Pd(dppp)(OTf)(2) (12a) or Pt(dppp)(OTf)(2) (12b) in dichloromethane to afford square metallocyclophanes 13a and 13b in 70% and 40% yield, respectively. In contrast, the reaction of 11 with 12b in dichloromethane gave triangular metallocyclophane 14 in 15% yield. (c) 2005 Elsevier Ltd. All rights reserved.