2-(2-Propan-2-yloxyphenoxy)acetamide | 1220748-24-2

• 英文名称: 2-(2-Propan-2-yloxyphenoxy)acetamide
• CAS: 1220748-24-2
• 化学式: C₁₁H₁₅NO₃
• 分子量: 209.245
• InChiKey: UWTNVMUDOWPLGU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  61.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(2-Propan-2-yloxyphenoxy)acetamide 在 二乙二醇二甲醚 、 diborane(6) 作用下， 生成 2-(2-isopropoxy-phenoxy)-ethylamine
  参考文献：
  名称：

  Discovery of a new series of 5-HT1A receptor agonists

  摘要：

  Starting from compounds previously identified as alpha(1)-adrenoceptor antagonists that were also found to bind to the 5-HT1A receptor, in an attempt to separate the two activities, a new series of 5-HT1A receptor agonists was identified and shown to have high potency and/or high selectivity. Of these, compound 13, which combines high selectivity (5-HT1A/alpha(1) = 151) and good agonist potency (pD(2) = 7.82; E-max = 76), was found to be the most interesting. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.030
• 作为产物：
  描述：

  2-异丙氧基苯酚 、 氯乙酰胺 在 sodium 作用下， 以 乙醇 为溶剂， 生成 2-(2-Propan-2-yloxyphenoxy)acetamide
  参考文献：
  名称：

  Discovery of a new series of 5-HT1A receptor agonists

  摘要：

  Starting from compounds previously identified as alpha(1)-adrenoceptor antagonists that were also found to bind to the 5-HT1A receptor, in an attempt to separate the two activities, a new series of 5-HT1A receptor agonists was identified and shown to have high potency and/or high selectivity. Of these, compound 13, which combines high selectivity (5-HT1A/alpha(1) = 151) and good agonist potency (pD(2) = 7.82; E-max = 76), was found to be the most interesting. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.030