2-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid | 1265624-89-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid
• 英文别名: 2-(8-Phenyl-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid
• CAS: 1265624-89-2
• 化学式: C₁₆H₂₀O₄
• 分子量: 276.332
• InChiKey: IJBHHIAXUPAAAI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.72
• 重原子数：
  20.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  55.76
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid 、 碘甲烷 在 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 以74%的产率得到methyl 2-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)acetate
  参考文献：
  名称：

  Synthesis and optimization of novel 4,4-disubstituted cyclohexylbenzamide derivatives as potent 11β-HSD1 inhibitors

  摘要：

  The synthesis and SAR of a series of 4,4-disubstituted cyclohexylbenzamide inhibitors of 11 beta-HSD1 are described. Optimization rapidly led to potent, highly selective, and orally bioavailable inhibitors demonstrating efficacy in both rat and non-human primate ex vivo pharmacodynamic models. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.129
• 作为产物：
  描述：

  (8-phenyl-1,4-dioxaspiro[4.5]dec-8-yl)acetonitrile 在 乙二醇 、 potassium hydroxide 作用下， 以92%的产率得到2-(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid
  参考文献：
  名称：

  Synthesis and optimization of novel 4,4-disubstituted cyclohexylbenzamide derivatives as potent 11β-HSD1 inhibitors

  摘要：

  The synthesis and SAR of a series of 4,4-disubstituted cyclohexylbenzamide inhibitors of 11 beta-HSD1 are described. Optimization rapidly led to potent, highly selective, and orally bioavailable inhibitors demonstrating efficacy in both rat and non-human primate ex vivo pharmacodynamic models. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.129