4-[3-(4-Amino-phenoxy)-propyl]-2,6-di-tert-butyl-phenol | 428861-65-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-[3-(4-Amino-phenoxy)-propyl]-2,6-di-tert-butyl-phenol
• 英文别名: 4-[3-(4-Aminophenoxy)propyl]-2,6-ditert-butylphenol
• CAS: 428861-65-8
• 化学式: C₂₃H₃₃NO₂
• 分子量: 355.521
• InChiKey: CJIIXTIGXGYJNY-UHFFFAOYSA-N

物化性质

• 沸点：
  471.7±45.0 °C(Predicted)
• 密度：
  1.041±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  55.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  、 4-[3-(4-Amino-phenoxy)-propyl]-2,6-di-tert-butyl-phenol 以 乙醇 为溶剂， 生成 2,6-Ditert-butyl-4-[3-[4-[(2-hydroxy-3-isoquinolin-7-yloxypropyl)amino]phenoxy]propyl]phenol
  参考文献：
  名称：

  New series of aryloxypropanolamines with both human β3-adrenoceptor agonistic activity and free radical scavenging properties

  摘要：

  A series of 13 novel hybrid molecules designed to possess both free radical scavenging activity and to stimulate the beta(3)-adrenoceptors in order to improve antidiabetic effect and to restore insulin sensitivity was synthesized and evaluated. Compounds were of quinolyl-, isoquinolyl-, pyridoindolyl- or carbazolyloxypropanolamine structure with a terminal amino group of benzopyranolyl-. di-tert-butylphenolyl- or methoxyindolyl- type. Some of the products possessed both the expected activities. (C) 2002 Elsevier Science Ltd. Ail rights reserved.

  DOI：

  10.1016/s0960-894x(01)00716-8
• 作为产物：
  描述：

  在 镍 肼 作用下， 生成 4-[3-(4-Amino-phenoxy)-propyl]-2,6-di-tert-butyl-phenol
  参考文献：
  名称：

  New series of aryloxypropanolamines with both human β3-adrenoceptor agonistic activity and free radical scavenging properties

  摘要：

  A series of 13 novel hybrid molecules designed to possess both free radical scavenging activity and to stimulate the beta(3)-adrenoceptors in order to improve antidiabetic effect and to restore insulin sensitivity was synthesized and evaluated. Compounds were of quinolyl-, isoquinolyl-, pyridoindolyl- or carbazolyloxypropanolamine structure with a terminal amino group of benzopyranolyl-. di-tert-butylphenolyl- or methoxyindolyl- type. Some of the products possessed both the expected activities. (C) 2002 Elsevier Science Ltd. Ail rights reserved.

  DOI：

  10.1016/s0960-894x(01)00716-8