2-[4-(4-bromobenzoyl)phenyl]acetic acid | 207113-22-2

• 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-(4-bromobenzoyl)phenyl]acetic acid
• CAS: 207113-22-2
• 化学式: C₁₅H₁₁BrO₃
• 分子量: 319.155
• InChiKey: UWRNIKHZUAUVJE-UHFFFAOYSA-N

物化性质

• 沸点：
  476.6±30.0 °C(Predicted)
• 密度：
  1.511±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.31
• 重原子数：
  19.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  54.37
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  2-[4-(4-bromobenzoyl)phenyl]acetic acid 在 四(三苯基膦)钯 、 18-冠醚-6 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 、 苯 为溶剂， 生成 (2,5-dioxopyrrolidin-1-yl) 2-[4-(4-cyanobenzoyl)phenyl]acetate
  参考文献：
  名称：

  p -Cyano substituted benzophenone as an excellent photophore for one-electron oxidation of DNA

  摘要：

  Novel DNA-photocleaving molecule 1 consisting of a p-cyano substituted benzophenone photophore and an alkyl amino side chain was developed. DNA cleavage by 1 under photoirradiation conditions occurred selectively at 5' side G of 5'GG3' sequence after hot piperidine treatment. Photoirradiation of deoxyguanosine at 312 nm in the presence of 1 efficiently produced imidazolone as a predominant product. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)00337-2
• 作为产物：
  描述：

  2-[4-(4-Bromobenzoyl)phenyl]acetonitrile 在 硫酸 作用下， 以 溶剂黄146 为溶剂， 以95%的产率得到2-[4-(4-bromobenzoyl)phenyl]acetic acid
  参考文献：
  名称：

  p -Cyano substituted benzophenone as an excellent photophore for one-electron oxidation of DNA

  摘要：

  Novel DNA-photocleaving molecule 1 consisting of a p-cyano substituted benzophenone photophore and an alkyl amino side chain was developed. DNA cleavage by 1 under photoirradiation conditions occurred selectively at 5' side G of 5'GG3' sequence after hot piperidine treatment. Photoirradiation of deoxyguanosine at 312 nm in the presence of 1 efficiently produced imidazolone as a predominant product. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)00337-2