2-(4-Methoxyphenyl)-1,4,7,10-tetrazacyclododecane | 1029033-93-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-(4-Methoxyphenyl)-1,4,7,10-tetrazacyclododecane
• CAS: 1029033-93-9
• 化学式: C₁₅H₂₆N₄O
• 分子量: 278.398
• InChiKey: XITUBFUNLRAOGC-UHFFFAOYSA-N

物化性质

• 沸点：
  461.1±45.0 °C(Predicted)
• 密度：
  0.976±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  57.4
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  三乙烯四胺 、 2-(4-甲氧基苯基)-2-氧代乙醛 在 三氯化铁 、 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以83%的产率得到2-(4-Methoxyphenyl)-1,4,7,10-tetrazacyclododecane
  参考文献：
  名称：

  Synthesis and anti-protozoal activity of C2-substituted polyazamacrocycles

  摘要：

  A focused library of C2-substituted-1,4,7,10-tetraazacyclododecanes was synthesised and the compounds were tested for their ability to kill trypanosome and malaria parasites. Several compounds showed significant in vitro activity and were selectively active against the parasites over human embryonic kidney cells used as a counter screen. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.02.037

文献信息

• Synthesis and anti-protozoal activity of C2-substituted polyazamacrocycles
  作者：Caroline M. Reid、Charles Ebikeme、Michael P. Barrett、Eva-Maria Patzewitz、Sylke Müller、David J. Robins、Andrew Sutherland

  DOI：10.1016/j.bmcl.2008.02.037

  日期：2008.4

  A focused library of C2-substituted-1,4,7,10-tetraazacyclododecanes was synthesised and the compounds were tested for their ability to kill trypanosome and malaria parasites. Several compounds showed significant in vitro activity and were selectively active against the parasites over human embryonic kidney cells used as a counter screen. (C) 2008 Elsevier Ltd. All rights reserved.