1,4,7,10,13,16-Hexaoxacyclooctadecane,2,12-bis(bromomethyl)-2,12-dimethyl- | 88955-83-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,4,7,10,13,16-Hexaoxacyclooctadecane,2,12-bis(bromomethyl)-2,12-dimethyl-
• 英文别名: 2,12-Bis-bromomethyl-2,12-dimethyl-1,4,7,10,13,16-hexaoxa-cyclooctadecane
• CAS: 88955-83-3
• 化学式: C₁₆H₃₀Br₂O₆
• 分子量: 478.219
• InChiKey: UWLIZTYCWURTNM-UHFFFAOYSA-N

物化性质

• 沸点：
  514.8±45.0 °C(Predicted)
• 密度：
  1.289±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.41
• 重原子数：
  24.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  55.38
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  1,4,7,10,13,16-Hexaoxacyclooctadecane,2,12-bis(bromomethyl)-2,12-dimethyl- 在 sodium 作用下， 以 四氢呋喃 为溶剂， 生成 2,2'-(2,12-dimethyl-1,4,7,10,13,16-hexaoxacyclooctadecane-2,12-diyl)bis[(methyleneoxy)-2,1-ethanediyl(hexylimino)carbonyl]biscyclohexanecarboxylic acid
  参考文献：
  名称：

  Double Uphill Transport of Ca²⁺−Na⁺ or Ca²⁺−K⁺ in Opposite Directions by Lipophilic Crown Ethers with Two Carboxylic Acid Moieties

  摘要：

  A variety of lipophilic crown ethers containing two carboxylic acid moieties were prepared, and their transport abilities were estimated in the double uphill transport system of Ca2+-Na+ or Ca2+-K+ by pH control through a bulk liquid membrane using dichloromethane. As expected, 15-crown-5 and 18-crown-6 derivatives were found to be effective for Ca2+-Na+ and Ca2+-K+ exchange systems, respectively. As a result, the calcium ion was concentrated in the acidic phase, and the sodium ion or potassium ion was concentrated in the other phase. In addition to the structure of the carriers, a proper selection of the transport conditions was one of the crucial factors for realizing this double uphill transport system. A simple combination of the active transporter of the calcium ion and the passive carrier for the sodium ion was also found to enable the exchange between the calcium and sodium ions against their concentration gradients. When two ionophores effective for Ca2+-K+ and K+-Na+ exchange systems, respectively, were used at the same time, the calcium and potassium ions were concentrated in the acidic phase, whereas the sodium ion was concentrated in the basic phase.

  DOI：

  10.1021/jo970696n
• 作为产物：
  描述：

  2-[2-(2-{2-[3-Bromo-2-(2-hydroxy-ethoxy)-2-methyl-propoxy]-ethoxy}-ethoxy)-1-bromomethyl-1-methyl-ethoxy]-ethanol 在 sodium hydroxide 、 苯磺酰氯 作用下， 以 1,4-二氧六环 为溶剂， 以25%的产率得到1,4,7,10,13,16-Hexaoxacyclooctadecane,2,12-bis(bromomethyl)-2,12-dimethyl-
  参考文献：
  名称：

  双（溴甲基）二甲基冠醚的合成及其具有给电子侧臂的衍生物的络合性能

  摘要：

  根据两种方法在不保护反应性溴取代基的情况下制备了几种双（溴甲基）二甲基15-crown-5、18-crown-6和21-crown-7。分离Ia的顺式和反式异构体，并通过考虑其具有对钠和钾阳离子的供电子侧臂的衍生物的络合性质来推断结构。

  DOI：

  10.1016/s0040-4039(01)81190-4