7,13-Bis(1'-nitro-3'-(trifluoromethyl)-6'-phenyl)-1,4,10-trioxa-7,13-diazacyclopentadecane | 137918-80-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 7,13-Bis(1'-nitro-3'-(trifluoromethyl)-6'-phenyl)-1,4,10-trioxa-7,13-diazacyclopentadecane
• 英文别名: 7,13-Bis[2-nitro-4-(trifluoromethyl)phenyl]-1,4,10-trioxa-7,13-diazacyclopentadecane
• CAS: 137918-80-0
• 化学式: C₂₄H₂₆F₆N₄O₇
• 分子量: 596.483
• InChiKey: QQDBUYCQUSLABC-UHFFFAOYSA-N

物化性质

• 沸点：
  654.6±55.0 °C(Predicted)
• 密度：
  1.354±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  41
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  126
• 氢给体数：
  0
• 氢受体数：
  15

反应信息

• 作为产物：
  描述：

  4-氯-3-硝基三氟甲苯 、 1,7-偶氮-15-冠-5 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 100.0 ℃ 、800.0 MPa 条件下， 反应 120.0h， 以92%的产率得到7,13-Bis(1'-nitro-3'-(trifluoromethyl)-6'-phenyl)-1,4,10-trioxa-7,13-diazacyclopentadecane
  参考文献：
  名称：

  High-pressure functionalization of diaza-crown ethers: new synthesis of silver(1+) ion-specific binders

  摘要：

  High-pressure S(N)Ar reaction was first applied to the synthesis of a new crown ether family, which incorporated various heteroaromatics as potential cation binding sites in a unique fashion. In a CH2Cl2 liquid membrane transport experiment, several diaza-crown ethers having thiazole, oxazole, pyrazine, and pyridazine rings exhibited a perfect Ag+ ion selectivity. Cation extraction and C-13 NMR titration experiments revealed that attachment of a unique heterocycle to the diaza-crown ring, if in the proper position, significantly offered excellent Ag+ ion specificity. Since the binding and transport selectivities of these crown ethers were apparently higher than those with conventional crown ethers, the high-pressure technique provided a useful method for synthesis of a new specific crown ether family.

  DOI：

  10.1021/jo00028a027