methyl 2-[(4-methylphenyl)sulfonyl]-1H-indole-5-carboxylate | 1555519-58-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: methyl 2-[(4-methylphenyl)sulfonyl]-1H-indole-5-carboxylate
• 英文别名: methyl 2-(4-methylphenyl)sulfonyl-1H-indole-5-carboxylate
• CAS: 1555519-58-8
• 化学式: C₁₇H₁₅NO₄S
• 分子量: 329.376
• InChiKey: LMJDYFHTIOTXDW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  84.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  吲哚-5-甲酸甲酯 、 sodium 4-methylbenzenesulfinate 在 碘 作用下， 以 甲醇 为溶剂， 反应 3.0h， 以13%的产率得到methyl 2-[(4-methylphenyl)sulfonyl]-1H-indole-5-carboxylate
  参考文献：
  名称：

  Regioselective C2 Sulfonylation of Indoles Mediated by Molecular Iodine

  摘要：

  A facile and general method for regioselective C2 sulfonylation reaction of indoles mediated by iodine is described. The 2-sulfonylated products were obtained up to 96% yield under mild reaction conditions (room temperature, 2 h).

  DOI：

  10.1021/jo402831k

文献信息

• BENZOIC ACID DERIVATIVES AND THEIR USE AS PPAR RECEPTOR AGONISTS
  申请人：AstraZeneca AB

  公开号：EP1210343A2

  公开（公告）日：2002-06-05
• [EN] CHEMICAL COMPOUNDS<br/>[FR] COMPOSES CHIMIQUES
  申请人：ASTRAZENECA AB

  公开号：WO2001012187A2

  公开（公告）日：2001-02-22

  The present invention relates to the use of certain benzoic acid derivatives of formula (I), where the substituents are as defined in the specification, which act as peroxisome proliferator activated receptor (PPAR) agonists, in particular gamma receptors (PPARη), and so are useful in the treatment of states of insulin resistance, including type 2 diabetes mellitus.