2-methyl-6-(2-methylphenylsulfonamido)benzoic acid

• 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-methyl-6-(2-methylphenylsulfonamido)benzoic acid
• 英文别名: 2-Methyl-6-[(2-methylphenyl)sulfonylamino]benzoic acid
• 化学式: C₁₅H₁₅NO₄S
• 分子量: 305.354
• InChiKey: NJBVRRSHVVRHQW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  91.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  邻甲苯磺酰氯 在 sodium azide 、 bis[dichloro(pentamethylcyclopentadienyl)iridium(III)] 、 lithium carbonate 、 溶剂黄146 、 双三氟甲烷磺酰亚胺银盐 作用下， 以 水 、 1,2-二氯乙烷 、 丙酮 为溶剂， 反应 24.0h， 生成 2-methyl-6-(2-methylphenylsulfonamido)benzoic acid
  参考文献：
  名称：

  Iridium-catalyzed direct ortho -C H amidation of benzoic acids with sulfonylazides

  摘要：

  A mild and efficient iridium-catalyzed ortho-C-H amidation with sulfonyl azides by weakly coordinating carboxylic acid was demonstrated, which provided a novel approach to anthranilic acid derivatives. (C) 2015 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. Published by Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.cclet.2015.08.009

文献信息

• Iridium-catalyzed direct ortho -C H amidation of benzoic acids with sulfonylazides
  作者：Ming-E Wei、Lian-Hui Wang、Yu-Dong Li、Xiu-Ling Cui

  DOI：10.1016/j.cclet.2015.08.009

  日期：2015.11

  A mild and efficient iridium-catalyzed ortho-C-H amidation with sulfonyl azides by weakly coordinating carboxylic acid was demonstrated, which provided a novel approach to anthranilic acid derivatives. (C) 2015 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. Published by Elsevier B.V. All rights reserved.