benzyl 3-(2-bromoacetamido) benzoate | 1357619-93-2

• 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: benzyl 3-(2-bromoacetamido) benzoate
• CAS: 1357619-93-2
• 化学式: C₁₆H₁₄BrNO₃
• 分子量: 348.196
• InChiKey: KMKISOZIAWJHSH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.38
• 重原子数：
  21.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  55.4
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  benzyl 3-(2-bromoacetamido) benzoate 在 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 5.0h， 生成 3-(2-(diethylamino)acetamido)benzoic acid
  参考文献：
  名称：

  Synthesis of benzoic acids and polybenzamides containing tertiary alkylamino functionality

  摘要：

  The high-yielding and easily scalable synthesis of a number of benzoic acids bearing a tertiary alkylamino functionality has been achieved. The flexible synthesis began from readily available aminobenzoic acids or terephthaloyl chloride and requires almost no chromatography. Coupling of the synthesised amino acids to a range of substituted anilines was achieved when utilizing a specific combination of DIC, HOBt and DMAP. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.12.030
• 作为产物：
  描述：

  benzyl 3-(tert-butoxycarbonylamino) benzoate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 benzyl 3-(2-bromoacetamido) benzoate
  参考文献：
  名称：

  Synthesis of benzoic acids and polybenzamides containing tertiary alkylamino functionality

  摘要：

  The high-yielding and easily scalable synthesis of a number of benzoic acids bearing a tertiary alkylamino functionality has been achieved. The flexible synthesis began from readily available aminobenzoic acids or terephthaloyl chloride and requires almost no chromatography. Coupling of the synthesised amino acids to a range of substituted anilines was achieved when utilizing a specific combination of DIC, HOBt and DMAP. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.12.030

文献信息

• Synthesis of benzoic acids and polybenzamides containing tertiary alkylamino functionality
  作者：Gul Shahzada Khan、Benjamin D. Dickson、David Barker

  DOI：10.1016/j.tet.2011.12.030

  日期：2012.2

  The high-yielding and easily scalable synthesis of a number of benzoic acids bearing a tertiary alkylamino functionality has been achieved. The flexible synthesis began from readily available aminobenzoic acids or terephthaloyl chloride and requires almost no chromatography. Coupling of the synthesised amino acids to a range of substituted anilines was achieved when utilizing a specific combination of DIC, HOBt and DMAP. (C) 2011 Elsevier Ltd. All rights reserved.