1-(Tert-butylamino)-4-(2-methoxyphenyl)butan-2-ol | 89789-91-3

• 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: 1-(Tert-butylamino)-4-(2-methoxyphenyl)butan-2-ol
• CAS: 89789-91-3
• 化学式: C₁₅H₂₅NO₂
• 分子量: 251.369
• InChiKey: LKQILHSRJVPHBU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  41.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-甲氧基溴苄 在 间氯过氧苯甲酸 作用下， 以 乙醚 、 二氯甲烷 、 二甲基亚砜 、 异丙醇 、 甲苯 为溶剂， 反应 6.0h， 生成 1-(Tert-butylamino)-4-(2-methoxyphenyl)butan-2-ol
  参考文献：
  名称：

  .beta.-Adrenergic blocking agents: substituted phenylalkanolamines. Effect of side-chain length on .beta.-blocking potency in vitro

  摘要：

  The synthesis of a group of potential beta-blockers bearing a new 5-ethoxysalicylamide substituent on nitrogen is described. These compounds were tested for beta-adrenergic blocking potency in vitro and compared with analogous compounds bearing a tert-butyl group on nitrogen. The new N-substituent increased the beta-blocking potency substantially. In a series of five homologous compounds of the type Ar(CH2)nCHOHCH2NHR (R = 5-ethoxysalicylamide; n = 0-4), two maxima of beta-blocking potency were found for n = 0 and 2. Moreover, the carbon isostere of the corresponding (aryloxy)propanolamine still proved to be a very potent beta-blocker. The ether oxygen in the side chain is therefore not an absolute requirement for activity. Structure-activity relationships are discussed.

  DOI：

  10.1021/jm00373a003