[4-(3-Bromopropyl)phenyl]-(4-methoxyphenyl)methanone | 142798-85-4

• 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: [4-(3-Bromopropyl)phenyl]-(4-methoxyphenyl)methanone
• CAS: 142798-85-4
• 化学式: C₁₇H₁₇BrO₂
• 分子量: 333.225
• InChiKey: NKDMMOFAYRNEDB-UHFFFAOYSA-N

物化性质

• 熔点：
  65-68 °C(Solv: ethyl acetate (141-78-6); ligroine (8032-32-4))
• 沸点：
  436.5±35.0 °C(Predicted)
• 密度：
  1.311±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 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：

  [4-(3-Bromopropyl)phenyl]-(4-methoxyphenyl)methanone 在 sodium perchlorate 、 二甲基亚砜 作用下， 反应 26.33h， 生成
  参考文献：
  名称：

  Charge-transfer complexation and photoreduction of viologen derivatives bearing the para-substituted benzophenone group in dimethyl sulfoxide

  摘要：

  New viologen derivatives having the various para-substituted benzophenone groups connected with a -(CH2)3- linkage were effectively photoreduced by dimethyl sulfoxide by the intramolecular charge transfer complex formation between the viologen and benzophenone groups through effective stacking. The photoreduction was enhanced by the introduction of electron-donating para-substituents on the benzophenone units which were favorable for the intramolecular charge transfer complexation.

  DOI：

  10.1021/j100196a032
• 作为产物：
  描述：

  1-溴-3-苯基丙烷 、 对甲氧基苯甲酰氯 在 三氯化铝 作用下， 以 二氯甲烷 为溶剂， 反应 10.0h， 以79.9%的产率得到[4-(3-Bromopropyl)phenyl]-(4-methoxyphenyl)methanone
  参考文献：
  名称：

  Charge-transfer complexation and photoreduction of viologen derivatives bearing the para-substituted benzophenone group in dimethyl sulfoxide

  摘要：

  New viologen derivatives having the various para-substituted benzophenone groups connected with a -(CH2)3- linkage were effectively photoreduced by dimethyl sulfoxide by the intramolecular charge transfer complex formation between the viologen and benzophenone groups through effective stacking. The photoreduction was enhanced by the introduction of electron-donating para-substituents on the benzophenone units which were favorable for the intramolecular charge transfer complexation.

  DOI：

  10.1021/j100196a032