methyl 4-(5-(phenoxymethyl)-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)benzoate | 1040737-57-2

• 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: methyl 4-(5-(phenoxymethyl)-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)benzoate
• CAS: 1040737-57-2
• 化学式: C₂₄H₂₂N₂O₃
• 分子量: 386.45
• InChiKey: NTNVGEQGGBNIII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.54
• 重原子数：
  29.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  51.13
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  methyl 4-(2-phenyl-2H-tetrazol-5-yl)benzoate 、 烯丙基苯基醚 生成 methyl 4-(5-(phenoxymethyl)-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)benzoate
  参考文献：
  名称：

  Wang, Yizhong; Song, Wenjiao; Hu, Wen J., Angewandte Chemie - International Edition, 2009, vol. 48, p. 5330 - 5333

  摘要：

  DOI：

文献信息

• Selective Functionalization of a Genetically Encoded Alkene-Containing Protein via “Photoclick Chemistry” in Bacterial Cells
  作者：Wenjiao Song、Yizhong Wang、Jun Qu、Qing Lin

  DOI：10.1021/ja803598e

  日期：2008.7.1

  We report a tetrazole-based, photoclick chemistry that can be employed to selectively functionalize an alkene genetically encoded in a protein inside E. coli cells. The reaction involved the treatment of E. coli cells with cell-permeable tetrazoles followed by a brief photo irradiation at 302 nm (4 min) and an overnight incubation at 4 degrees C. This in vivo alkene functionalization procedure was simple, straightforward, and nontoxic to E. coli cells. Additionally, fluorescent adducts were formed, facilitating the monitoring of the reaction in vivo. This reaction should offer a new tool for the study of alkene-containing proteins in living systems.