2,6-Dimethoxy-3'',5''-dimethyl-biphenyl-4-carboxylic acid pentyl ester | 949009-93-2

• 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: 2,6-Dimethoxy-3'',5''-dimethyl-biphenyl-4-carboxylic acid pentyl ester
• 英文别名: pentyl 4-(3,5-dimethylphenyl)-3,5-dimethoxybenzoate
• CAS: 949009-93-2
• 化学式: C₂₂H₂₈O₄
• 分子量: 356.462
• InChiKey: CTRBVHCPNSITHF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  26
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,6-Dimethoxy-3'',5''-dimethyl-biphenyl-4-carboxylic acid pentyl ester 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 生成 2,6-Dihydroxy-3'',5''-dimethyl-biphenyl-4-carboxylic acid pentyl ester
  参考文献：
  名称：

  Metabolically labile cannabinoid esters: A ‘soft drug’ approach for the development of cannabinoid-based therapeutic drugs

  摘要：

  Biphenylic ester derivatives, designed by using a 'soft-drug' approach, proved to possess good binding properties toward cannabinoid CB1 and CB2 receptors and, at the same time, their metabolically labile ester portion would promote a rapid systemic inactivation. This may constitute a possible solution to the psychotropic side effects encountered when cannabinoids are therapeutically employed as local analgesic or antiglaucoma agents. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.055
• 作为产物：
  描述：

  4-溴-3,5-二甲氧基苯甲酰氯 在 四(三苯基膦)钯 potassium phosphate 作用下， 以 四氢呋喃 、 1,4-二氧六环 为溶剂， 生成 2,6-Dimethoxy-3'',5''-dimethyl-biphenyl-4-carboxylic acid pentyl ester
  参考文献：
  名称：

  Metabolically labile cannabinoid esters: A ‘soft drug’ approach for the development of cannabinoid-based therapeutic drugs

  摘要：

  Biphenylic ester derivatives, designed by using a 'soft-drug' approach, proved to possess good binding properties toward cannabinoid CB1 and CB2 receptors and, at the same time, their metabolically labile ester portion would promote a rapid systemic inactivation. This may constitute a possible solution to the psychotropic side effects encountered when cannabinoids are therapeutically employed as local analgesic or antiglaucoma agents. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.055