2-(2-isopropoxy-2-oxoethyl)benzoic acid | 1276688-36-8

• 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-(2-isopropoxy-2-oxoethyl)benzoic acid
• CAS: 1276688-36-8
• 化学式: C₁₂H₁₄O₄
• 分子量: 222.241
• InChiKey: OIWMXHTVAQOLLK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.88
• 重原子数：
  16.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  63.6
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-(2-isopropoxy-2-oxoethyl)benzoic acid 在 五氯化磷 作用下， 以 甲苯 为溶剂， 以34 %的产率得到3-iso-propoxy-4-chloroisocoumarin
  参考文献：
  名称：

  4-Chloroisocoumarins as Chlamydial Protease Inhibitors and Anti-Chlamydial Agents

  摘要：

  4-Chloroisocoumarin compounds have broad inhibitory properties against serine proteases. Here, we show that selected 3-alkoxy-4-chloroisocoumarins preferentially inhibit the activity of the conserved serine protease High-temperature requirement A of Chlamydia trachomatis. The synthesis of a new series of isocoumarin-based scaffolds has been developed, and their anti-chlamydial properties were investigated. The structure of the alkoxy substituent was found to influence the potency of the compounds against High-temperature requirement A, and modifications to the C-7 position of the 3-alkoxy-4-chloroisocoumarin structure attenuate anti-chlamydial properties.

  DOI：

  10.3390/molecules29071519
• 作为产物：
  描述：

  邻羧基苯乙酸 、 异丙醇 在 samarium(III) chloride 作用下， 反应 32.0h， 以99%的产率得到2-(2-isopropoxy-2-oxoethyl)benzoic acid
  参考文献：
  名称：

  Highly Chemoselective Esterification Reactions and Boc/THP/TBDMS Discriminating Deprotections under Samarium(III) Catalysis

  摘要：

  The usefulness of SmCl(3) as an excellent catalyst for chemoselective esterifications and selective removal of acid sensitive protecting groups such as Boc, THP, and TBDMS in the presence of one another is demonstrated through suitable examples.

  DOI：

  10.1021/ol200247c