Ethyl 2-cycloheptyl-2-hydroxy-2-phenylacetate | 950492-40-7

• 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: Ethyl 2-cycloheptyl-2-hydroxy-2-phenylacetate
• CAS: 950492-40-7
• 化学式: C₁₇H₂₄O₃
• 分子量: 276.376
• InChiKey: VBQJJIMWEDQGIE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Ethyl 2-cycloheptyl-2-hydroxy-2-phenylacetate 在 N-甲基吗啉 、 氢氧化钾 、 1-羟基苯并三唑 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 N-((1R,5S,6s)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cycloheptyl-2-hydroxy-2-phenylacetamide
  参考文献：
  名称：

  Synthesis and optimization of novel and selective muscarinic M3 receptor antagonists

  摘要：

  A series of constrained piperidine analogues were synthesized as novel muscarinic M-3 receptor antagonists. Evaluation of these compounds in binding assays revealed that they not only have high affinity for the M-3 receptor but also have high selectivity over the M-2 receptor. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.081
• 作为产物：
  描述：

  苯甲酰甲酸乙酯 、 cycloheptyl magnesium bromide 以 四氢呋喃 为溶剂， 生成 Ethyl 2-cycloheptyl-2-hydroxy-2-phenylacetate
  参考文献：
  名称：

  Synthesis and optimization of novel and selective muscarinic M3 receptor antagonists

  摘要：

  A series of constrained piperidine analogues were synthesized as novel muscarinic M-3 receptor antagonists. Evaluation of these compounds in binding assays revealed that they not only have high affinity for the M-3 receptor but also have high selectivity over the M-2 receptor. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.081