(3-bromo-4-methoxyphenyl)(cyclopropyl)methanone | 1094648-45-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (3-bromo-4-methoxyphenyl)(cyclopropyl)methanone
• 英文别名: (3-Bromo-4-methoxyphenyl)-cyclopropylmethanone
• CAS: 1094648-45-9
• 化学式: C₁₁H₁₁BrO₂
• 分子量: 255.111
• InChiKey: IXDGPIZYZWAQJR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (3-bromo-4-methoxyphenyl)(cyclopropyl)methanone 在 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 potassium acetate 、 四氯化钛 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 甲苯 为溶剂， 反应 32.67h， 生成 (5-(2-cyclopropylpropan-2-yl)-2-methoxyphenyl)boronic acid
  参考文献：
  名称：

  WO2024173570A1

  摘要：

  公开号：
• 作为产物：
  描述：

  环丙基-4-甲氧基苯酮 在 五氧化二碘 、 potassium bromide 作用下， 以 水 为溶剂， 反应 6.0h， 以90%的产率得到(3-bromo-4-methoxyphenyl)(cyclopropyl)methanone
  参考文献：
  名称：

  Bromination of Arenes Using I₂O₅-KBr in Water

  摘要：

  An efficient and environmentally benign bromination of various aromatic compounds using aN aqueous I2O5-KBr system at room temperature has been developed in this work. A series of aromatic compounds such as acetophenones, benzaldehydes, benzoic acids, anilines, amides, and aminopyridine have been successfully brominated in excellent regioselectivities and good yields under the typical reaction conditions. The features of KBr as brominating reagent, water as solvent, and mild conditions make this system an attractive synthetic procedure. [Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) for the following free supplemental resource(s): Full experimental and spectral details.]

  DOI：

  10.1080/00397911.2013.796523

文献信息

• Bromination of Arenes Using I₂O₅-KBr in Water
  作者：Jieping Hou、Zejiang Li、Xiao-Dong Jia、Zhong-Quan Liu

  DOI：10.1080/00397911.2013.796523

  日期：2014.1.17

  An efficient and environmentally benign bromination of various aromatic compounds using aN aqueous I2O5-KBr system at room temperature has been developed in this work. A series of aromatic compounds such as acetophenones, benzaldehydes, benzoic acids, anilines, amides, and aminopyridine have been successfully brominated in excellent regioselectivities and good yields under the typical reaction conditions. The features of KBr as brominating reagent, water as solvent, and mild conditions make this system an attractive synthetic procedure. [Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) for the following free supplemental resource(s): Full experimental and spectral details.]