1,12-bis[(4-methyl-1,2,4-oxadiazol-5-(4H)-one)-3-yl]dodecane | 1190625-05-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,12-bis[(4-methyl-1,2,4-oxadiazol-5-(4H)-one)-3-yl]dodecane
• 英文别名: 4-Methyl-3-[12-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)dodecyl]-1,2,4-oxadiazol-5-one
• CAS: 1190625-05-8
• 化学式: C₁₈H₃₀N₄O₄
• 分子量: 366.461
• InChiKey: UAOCYYRHMSNNKV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  26
• 可旋转键数：
  13
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  83.8
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1,12-bis[(4-methyl-1,2,4-oxadiazol-5-(4H)-one)-3-yl]dodecane 在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 40.0h， 以83%的产率得到1,12-bis(N-hydroxy-N'-methylamidinyl)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
• 作为产物：
  描述：

  1,12-bis-((1,2,4-oxadiazol-5-4(H)-one)-3-yl)dodecane 、 alkaline earth salt of/the/ methylsulfuric acid 在 sodium methylate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以70%的产率得到1,12-bis[(4-methyl-1,2,4-oxadiazol-5-(4H)-one)-3-yl]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