methyl 4-[(5-fluoro-2-nitrophenoxy)methyl]benzoate | 877167-12-9

• 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-fluoro-2-nitrophenoxy)methyl]benzoate
• CAS: 877167-12-9
• 化学式: C₁₅H₁₂FNO₅
• 分子量: 305.262
• InChiKey: KFMMMIIAUYJYAI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  81.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  methyl 4-[(5-fluoro-2-nitrophenoxy)methyl]benzoate 在 吡啶 、 铁粉 、 溶剂黄146 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 6.0h， 生成 methyl 4-({5-fluoro-2-[(phenylsulfonyl)amino]phenoxy}methyl)benzoate
  参考文献：
  名称：

  Discovery of new chemical leads for selective EP1 receptor antagonists

  摘要：

  A series of 4-({2-[alkyl(phenylsulfonyl)amino]phenoxy}methyl)benzoic acids were identified as functional PGE2 antagonists with selectivity for the EP1 receptor subtype starting from a chemical lead 1, which was found while screening our in-house compound library. Discovery of the optimized analogs 21-23 is presented here and structure-activity relationships (SAR) are also discussed. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.04.038
• 作为产物：
  描述：

  4-溴甲基苯甲酸甲酯 、 5-氟-2-硝基苯酚 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以93%的产率得到methyl 4-[(5-fluoro-2-nitrophenoxy)methyl]benzoate
  参考文献：
  名称：

  Discovery of new chemical leads for selective EP1 receptor antagonists

  摘要：

  A series of 4-({2-[alkyl(phenylsulfonyl)amino]phenoxy}methyl)benzoic acids were identified as functional PGE2 antagonists with selectivity for the EP1 receptor subtype starting from a chemical lead 1, which was found while screening our in-house compound library. Discovery of the optimized analogs 21-23 is presented here and structure-activity relationships (SAR) are also discussed. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.04.038

文献信息

• Discovery of new chemical leads for selective EP1 receptor antagonists
  作者：Atsushi Naganawa、Tetsuji Saito、Yuuki Nagao、Hiromu Egashira、Maki Iwahashi、Tohru Kambe、Masatoshi Koketsu、Hiroshi Yamamoto、Michiyoshi Kobayashi、Takayuki Maruyama、Shuichi Ohuchida、Hisao Nakai、Kigen Kondo、Masaaki Toda

  DOI：10.1016/j.bmc.2006.04.038

  日期：2006.8

  A series of 4-(2-[alkyl(phenylsulfonyl)amino]phenoxy}methyl)benzoic acids were identified as functional PGE2 antagonists with selectivity for the EP1 receptor subtype starting from a chemical lead 1, which was found while screening our in-house compound library. Discovery of the optimized analogs 21-23 is presented here and structure-activity relationships (SAR) are also discussed. (c) 2006 Elsevier Ltd. All rights reserved.