1,12-bis(N,N'-benzylamidinyl)dodecane | 1190637-19-4

• 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: 1,12-bis(N,N'-benzylamidinyl)dodecane
• 英文别名: 1-N',14-N'-dibenzyltetradecanediimidamide
• CAS: 1190637-19-4
• 化学式: C₂₈H₄₂N₄
• 分子量: 434.668
• InChiKey: NORGCGARKDNLBO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  32
• 可旋转键数：
  17
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  76.8
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,12-bis(N,N'-benzylamidinyl)dodecane 在 盐酸 作用下， 以 甲醇 、 水 为溶剂， 以250 mg的产率得到1,12-bis(N,N'-benzylamidinyl)dodecane dihydrochloride
  参考文献：
  名称：

  N-substituted bis-C-alkyloxadiazolones as dual effectors: Efficient intermediates to amidoximes or amidines and prodrug candidates of potent antimalarials

  摘要：

  A convenient route to N-substituted bis-C-alkylamidines possessing antiplasmodial activity and their oxadiazolone and amidoxime prodrug candidates, is described. These three families of compounds were available after a key N-alkylation step of the parent oxadiazolone 1a. Testing of the three compound classes in vitro and in vivo is also presented. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.07.001
• 作为产物：
  描述：

  1,12-bis[(4-benzyl-1,2,4-oxadiazol-5-(4H)-one)-3-yl]dodecane 在 溶剂黄146 、 锌 作用下， 以 甲醇 为溶剂， 反应 3.0h， 生成 1,12-bis(N,N'-benzylamidinyl)dodecane
  参考文献：
  名称：

  N-substituted bis-C-alkyloxadiazolones as dual effectors: Efficient intermediates to amidoximes or amidines and prodrug candidates of potent antimalarials

  摘要：

  A convenient route to N-substituted bis-C-alkylamidines possessing antiplasmodial activity and their oxadiazolone and amidoxime prodrug candidates, is described. These three families of compounds were available after a key N-alkylation step of the parent oxadiazolone 1a. Testing of the three compound classes in vitro and in vivo is also presented. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.07.001

文献信息

• N-substituted bis-C-alkyloxadiazolones as dual effectors: Efficient intermediates to amidoximes or amidines and prodrug candidates of potent antimalarials
  作者：Mélissa Degardin、Sharon Wein、Thierry Durand、Roger Escale、Henry Vial、Yen Vo-Hoang

  DOI：10.1016/j.bmcl.2009.07.001

  日期：2009.9

  A convenient route to N-substituted bis-C-alkylamidines possessing antiplasmodial activity and their oxadiazolone and amidoxime prodrug candidates, is described. These three families of compounds were available after a key N-alkylation step of the parent oxadiazolone 1a. Testing of the three compound classes in vitro and in vivo is also presented. (C) 2009 Elsevier Ltd. All rights reserved.