1-[10-(Toluene-4-sulfonyl)-1,7-dioxa-4,10-diaza-cyclododec-4-yl]-ethanone | 217192-06-8

• 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-[10-(Toluene-4-sulfonyl)-1,7-dioxa-4,10-diaza-cyclododec-4-yl]-ethanone
• 英文别名: 1-[10-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododec-4-yl]ethanone
• CAS: 217192-06-8
• 化学式: C₁₇H₂₆N₂O₅S
• 分子量: 370.47
• InChiKey: DOYJNKWHFZLMEP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.88
• 重原子数：
  25.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  76.15
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  1-[10-(Toluene-4-sulfonyl)-1,7-dioxa-4,10-diaza-cyclododec-4-yl]-ethanone 在 lithium aluminium tetrahydride 、 sodium carbonate 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 138.0h， 生成 4,10-diethyl-1,7-dioxa-4,10-diazacyclododecane
  参考文献：
  名称：

  Synthesis and alkali metal picrate extraction capabilities of novel, cage-functionalized diazacrown ethers. Effects of host preorganization on avidity and selectivity toward alkali metal picrates in solution

  摘要：

  The synthesis of a series of cage-functionalized bis(monoazacrown) ethers and bis(diazacrown) ethers is described. Alkali metal picrate extraction profiles have been determined for several members of this novel series of ionophores. The increased level of preorganization achieved when a cage-functionalized bis(diaza-crown) ether is incorporated into a "molecular box" results in higher levels of avidity and selectivity of the resulting host system toward alkali metal picrates in solution. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00823-0
• 作为产物：
  描述：

  乙酸酐 、 4-[(4-methylphenyl)sulfonyl]-1,7-dioxa-4,10-diazacyclododecane 在 4-二甲氨基吡啶 作用下， 以 二氯甲烷 为溶剂， 以65%的产率得到1-[10-(Toluene-4-sulfonyl)-1,7-dioxa-4,10-diaza-cyclododec-4-yl]-ethanone
  参考文献：
  名称：

  Synthesis and alkali metal picrate extraction capabilities of novel, cage-functionalized diazacrown ethers. Effects of host preorganization on avidity and selectivity toward alkali metal picrates in solution

  摘要：

  The synthesis of a series of cage-functionalized bis(monoazacrown) ethers and bis(diazacrown) ethers is described. Alkali metal picrate extraction profiles have been determined for several members of this novel series of ionophores. The increased level of preorganization achieved when a cage-functionalized bis(diaza-crown) ether is incorporated into a "molecular box" results in higher levels of avidity and selectivity of the resulting host system toward alkali metal picrates in solution. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00823-0