methyl 1-(2-bromo-5-nitrophenyl)cyclohexanecarboxylate | 1206451-29-7

• 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: methyl 1-(2-bromo-5-nitrophenyl)cyclohexanecarboxylate
• CAS: 1206451-29-7
• 化学式: C₁₄H₁₆BrNO₄
• 分子量: 342.189
• InChiKey: JGOKXVLWNLBPIU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.73
• 重原子数：
  20.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  69.44
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  methyl 1-(2-bromo-5-nitrophenyl)cyclohexanecarboxylate 在 二异丁基氢化铝 作用下， 以 正己烷 、 二氯甲烷 为溶剂， 生成 1-(2-bromo-5-nitrophenyl)cyclohexanylmethanol
  参考文献：
  名称：

  Pd-Catalyzed Intramolecular Acylation of Aryl Bromides via C−H Functionalization: A Highly Efficient Synthesis of Benzocyclobutenones

  摘要：

  A new catalyst system for the intramolecular acylation of aldehydes with aryl bromides via C-H functionalization is described. The transformation is distinguished by a remarkable functional group tolerance and hence allows for the synthesis of a wide variety of highly functionalized benzocyclobutenones with a diverse set of substitution patterns from simple and easily accessible precursors.

  DOI：

  10.1021/ja909811t
• 作为产物：
  描述：

  methyl 1-(2-bromophenyl)cyclohexanecarboxylate 在 硫酸 、 硝酸 作用下， 以 溶剂黄146 为溶剂， 以47%的产率得到methyl 1-(2-bromo-5-nitrophenyl)cyclohexanecarboxylate
  参考文献：
  名称：

  Pd-Catalyzed Intramolecular Acylation of Aryl Bromides via C−H Functionalization: A Highly Efficient Synthesis of Benzocyclobutenones

  摘要：

  A new catalyst system for the intramolecular acylation of aldehydes with aryl bromides via C-H functionalization is described. The transformation is distinguished by a remarkable functional group tolerance and hence allows for the synthesis of a wide variety of highly functionalized benzocyclobutenones with a diverse set of substitution patterns from simple and easily accessible precursors.

  DOI：

  10.1021/ja909811t