3-(3-Bromobenzamido)benzoic acid | 413574-81-9

• 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: 3-(3-Bromobenzamido)benzoic acid
• 英文别名: 3-[(3-bromobenzoyl)amino]benzoic acid
• CAS: 413574-81-9
• 化学式: C₁₄H₁₀BrNO₃
• mdl: MFCD00433570
• 分子量: 320.142
• InChiKey: RWWKKZOLPGZQEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(3-Bromobenzamido)benzoic acid 在 bis(dibenzylideneacetone)-palladium⁽⁰⁾ copper(l) iodide 、 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 、 N-甲基吡咯烷酮 为溶剂， 反应 50.0h， 生成 3-((trimethylsilyl)ethynyl)-N-(3-((3-((trimethylsilyl)ethynyl)phenyl)carbamoyl)phenyl)benzamide
  参考文献：
  名称：

  Sequence-Specific Binding of m-Phenylene Ethynylene Foldamers to a Piperazinium Dihydrochloride Salt

  摘要：

  Binding properties of a series of isomeric m-phenylene ethynylene oligomers containing short amide sequences to a piperazinium clihydrochloricle salt were investigated by using circular dichroism (CD) measurements. Although these isomeric oligomers exhibited similar helical conformations, high affinity was observed only for one oligomer. This behavior is presumably controlled by the orientation of amino groups of the amide sequence and the folded conformation of the oligomer.

  DOI：

  10.1021/ol0500721
• 作为产物：
  描述：

  3-溴苯甲酰氯 、 间氨基苯甲酸 在 三乙胺 作用下， 以 丙酮 为溶剂， 反应 17.0h， 以55%的产率得到3-(3-Bromobenzamido)benzoic acid
  参考文献：
  名称：

  Sequence-Specific Binding of m-Phenylene Ethynylene Foldamers to a Piperazinium Dihydrochloride Salt

  摘要：

  Binding properties of a series of isomeric m-phenylene ethynylene oligomers containing short amide sequences to a piperazinium clihydrochloricle salt were investigated by using circular dichroism (CD) measurements. Although these isomeric oligomers exhibited similar helical conformations, high affinity was observed only for one oligomer. This behavior is presumably controlled by the orientation of amino groups of the amide sequence and the folded conformation of the oligomer.

  DOI：

  10.1021/ol0500721

文献信息

• Sequence-Specific Binding of <i>m</i>-Phenylene Ethynylene Foldamers to a Piperazinium Dihydrochloride Salt
  作者：Kazuki Goto、Jeffrey S. Moore

  DOI：10.1021/ol0500721

  日期：2005.4.1

  Binding properties of a series of isomeric m-phenylene ethynylene oligomers containing short amide sequences to a piperazinium clihydrochloricle salt were investigated by using circular dichroism (CD) measurements. Although these isomeric oligomers exhibited similar helical conformations, high affinity was observed only for one oligomer. This behavior is presumably controlled by the orientation of amino groups of the amide sequence and the folded conformation of the oligomer.