2-(4-bromobutoxy)benzoic acid 2-methoxyethyl ester | 937021-06-2

• 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: 2-(4-bromobutoxy)benzoic acid 2-methoxyethyl ester
• 英文别名: 2-Methoxyethyl 2-(4-bromobutoxy)benzoate
• CAS: 937021-06-2
• 化学式: C₁₄H₁₉BrO₄
• 分子量: 331.206
• InChiKey: AMCGHIPXHRJWAN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  19
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(4-bromobutoxy)benzoic acid 2-methoxyethyl ester 在 sodium azide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以97%的产率得到2-(4-azidobutoxy)benzoic acid 2-methoxyethyl ester
  参考文献：
  名称：

  Click Chemistry with O-Dimethylpropargylcarbamate for Preparation of pH-Sensitive Functional Groups. A Case Study

  摘要：

  Click chemistry has became an important tool for molecular constructs such as biopolymers. During the development of biodegradable multifunctional poly(ethylene oxide) (PEO) polymers suitable for click chemistry in water, an unexpected reaction leading to a mixture of triazole cycloadducts was observed. This result was attributed to an intramolecular ligand effect, and alternative conditions were evaluated. An efficient method was then implemented allowing the access in high yields to the expected triazolylcarbamate. pH sensitivity of the obtained isopropyltriazolylcarbamate was demonstrated at acidic pH.

  DOI：

  10.1021/jo070131j
• 作为产物：
  描述：

  水杨酸 在 三氟化硼乙醚 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 生成 2-(4-bromobutoxy)benzoic acid 2-methoxyethyl ester
  参考文献：
  名称：

  Click Chemistry with O-Dimethylpropargylcarbamate for Preparation of pH-Sensitive Functional Groups. A Case Study

  摘要：

  Click chemistry has became an important tool for molecular constructs such as biopolymers. During the development of biodegradable multifunctional poly(ethylene oxide) (PEO) polymers suitable for click chemistry in water, an unexpected reaction leading to a mixture of triazole cycloadducts was observed. This result was attributed to an intramolecular ligand effect, and alternative conditions were evaluated. An efficient method was then implemented allowing the access in high yields to the expected triazolylcarbamate. pH sensitivity of the obtained isopropyltriazolylcarbamate was demonstrated at acidic pH.

  DOI：

  10.1021/jo070131j