Dimethyl 5-[4-[4-(trifluoromethyl)phenyl]phenyl]benzene-1,3-dicarboxylate | 334022-05-8

• 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: Dimethyl 5-[4-[4-(trifluoromethyl)phenyl]phenyl]benzene-1,3-dicarboxylate
• CAS: 334022-05-8
• 化学式: C₂₃H₁₇F₃O₄
• 分子量: 414.381
• InChiKey: XHTLIEYSZUMFFK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  Dimethyl 5-[4-[4-(trifluoromethyl)phenyl]phenyl]benzene-1,3-dicarboxylate 在 lithium hydroxide 作用下， 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  The synthesis of potentially selective inhibitors of dihydroorotate dehydrogenase. The utilization of chemoselective Suzuki cross-coupling reactions in a parallel synthesis

  摘要：

  A series of potentially selective inhibitors of dihydroorotate dehydrogenase (DHODH) were synthesized via iterative, chemoselective Suzuki cross-couplings utilizing biaryl chlorides as key intermediates. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)02024-4
• 作为产物：
  描述：

  5-羟基间苯二甲酸二甲酯 在 四(三苯基膦)钯 2,6-二甲基吡啶 、 potassium phosphate 、 tris(dibenzylideneacetone)dipalladium (0) 、 三叔丁基膦 、 caesium carbonate 、 1,2-双(二苯基膦)乙烷 、 potassium bromide 作用下， 以 1,4-二氧六环 、 乙二醇二甲醚 、 二氯甲烷 为溶剂， 生成 Dimethyl 5-[4-[4-(trifluoromethyl)phenyl]phenyl]benzene-1,3-dicarboxylate
  参考文献：
  名称：

  The synthesis of potentially selective inhibitors of dihydroorotate dehydrogenase. The utilization of chemoselective Suzuki cross-coupling reactions in a parallel synthesis

  摘要：

  A series of potentially selective inhibitors of dihydroorotate dehydrogenase (DHODH) were synthesized via iterative, chemoselective Suzuki cross-couplings utilizing biaryl chlorides as key intermediates. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)02024-4

文献信息

• The synthesis of potentially selective inhibitors of dihydroorotate dehydrogenase. The utilization of chemoselective Suzuki cross-coupling reactions in a parallel synthesis
  作者：Amanda E Sutton、Jon Clardy

  DOI：10.1016/s0040-4039(00)02024-4

  日期：2001.1

  A series of potentially selective inhibitors of dihydroorotate dehydrogenase (DHODH) were synthesized via iterative, chemoselective Suzuki cross-couplings utilizing biaryl chlorides as key intermediates. (C) 2001 Elsevier Science Ltd. All rights reserved.