methyl 2-(4-cyclopentyloxyphenyl)acetate | 1046140-43-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: methyl 2-(4-cyclopentyloxyphenyl)acetate
• CAS: 1046140-43-5
• 化学式: C₁₄H₁₈O₃
• 分子量: 234.295
• InChiKey: LHUGTOWSENKTMJ-UHFFFAOYSA-N

物化性质

• 沸点：
  335.1±17.0 °C(Predicted)
• 密度：
  1.110±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.72
• 重原子数：
  17.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  35.53
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  methyl 2-(4-cyclopentyloxyphenyl)acetate 在 lithium hydroxide 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 生成 4-cyclopentyloxyphenylacetic acid
  参考文献：
  名称：

  Novel benzimidazole derivatives as selective CB2 agonists

  摘要：

  The preparation and evaluation of a novel class of CB2 agonists based on a benzimidazole moiety are reported. They showed binding affinities up to 1 nM towards the CB2 receptor with partial to full agonist potencies. They also demonstrated good to excellent selectivity (> 1000-fold) over the CB1 receptor. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.05.073
• 作为产物：
  描述：

  溴代环戊烷 、 4-羟基苯乙酸甲酯 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 生成 methyl 2-(4-cyclopentyloxyphenyl)acetate
  参考文献：
  名称：

  Novel benzimidazole derivatives as selective CB2 agonists

  摘要：

  The preparation and evaluation of a novel class of CB2 agonists based on a benzimidazole moiety are reported. They showed binding affinities up to 1 nM towards the CB2 receptor with partial to full agonist potencies. They also demonstrated good to excellent selectivity (> 1000-fold) over the CB1 receptor. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.05.073

文献信息

• Novel benzimidazole derivatives as selective CB2 agonists
  作者：Daniel Pagé、Elise Balaux、Luc Boisvert、Ziping Liu、Claire Milburn、Maxime Tremblay、Zhongyong Wei、Simon Woo、Xuehong Luo、Yun-Xing Cheng、Hua Yang、Sanjay Srivastava、Fei Zhou、William Brown、Miroslaw Tomaszewski、Christopher Walpole、Leila Hodzic、Stéphane St-Onge、Claude Godbout、Dominic Salois、Keymal Payza

  DOI：10.1016/j.bmcl.2008.05.073

  日期：2008.7

  The preparation and evaluation of a novel class of CB2 agonists based on a benzimidazole moiety are reported. They showed binding affinities up to 1 nM towards the CB2 receptor with partial to full agonist potencies. They also demonstrated good to excellent selectivity (> 1000-fold) over the CB1 receptor. (C) 2008 Elsevier Ltd. All rights reserved.