2-(4-Methoxy-benzenesulfonyloxy)-benzoic acid | 1054468-42-6

• 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-Methoxy-benzenesulfonyloxy)-benzoic acid
• 英文别名: 2-(4-methoxyphenyl)sulfonyloxybenzoic acid
• CAS: 1054468-42-6
• 化学式: C₁₄H₁₂O₆S
• 分子量: 308.312
• InChiKey: KXJGECSUYRYYQX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.16
• 重原子数：
  21.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  89.9
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  苯胺 、 2-(4-Methoxy-benzenesulfonyloxy)-benzoic acid 在 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 生成 4-Methoxy-benzenesulfonic acid 2-phenylcarbamoyl-phenyl ester
  参考文献：
  名称：

  Novel sulfonate Derivatives: potent antimitotic agents

  摘要：

  The synthesis and biological evaluation of novel sulfonate analogues of E-7010 are reported, Several of the compounds are potent inhibitors of cell proliferation and tubulin polymerization. Importantly, these compounds are also active against P-glycoprotein positive (+)cancer cells, which are resistant to many other antitumor agents. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00279-7
• 作为产物：
  描述：

  Benzoesaeuremethylester-2-p-methoxyphenylsulfonat 在 lithium hydroxide 作用下， 以88%的产率得到2-(4-Methoxy-benzenesulfonyloxy)-benzoic acid
  参考文献：
  名称：

  Novel sulfonate Derivatives: potent antimitotic agents

  摘要：

  The synthesis and biological evaluation of novel sulfonate analogues of E-7010 are reported, Several of the compounds are potent inhibitors of cell proliferation and tubulin polymerization. Importantly, these compounds are also active against P-glycoprotein positive (+)cancer cells, which are resistant to many other antitumor agents. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00279-7