4,7,13,16,21-pentaoxa-1,10-diaza-5n-tetradecylbicyclo<8.8.5>tricosane | 97431-40-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4,7,13,16,21-pentaoxa-1,10-diaza-5n-tetradecylbicyclo<8.8.5>tricosane
• 英文别名: 5-Tetradecyl-4,7,13,16,21-pentaoxa-1,10-diazabicyclo[8.8.5]tricosane
• CAS: 97431-40-8
• 化学式: C₃₀H₆₀N₂O₅
• 分子量: 528.817
• InChiKey: GKRRFZLUUMBCBO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  37
• 可旋转键数：
  13
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4,7,13,16,21-pentaoxa-1,10-diaza-5n-tetradecylbicyclo<8.8.5>tricosane 在 calcium chloride 作用下， 以 水 为溶剂， 生成 5-Tetradecyl-4,7,13,16,21-pentaoxa-1,10-diaza-bicyclo[8.8.5]tricosane; compound with GENERIC INORGANIC NEUTRAL COMPONENT
  参考文献：
  名称：

  Lipophilic derivatives of [2.2.1]- and [2.2.2]cryptands: thermodynamics of micellization of their alkali and alkaline-earth cryptates

  摘要：

  Critical micelle concentrations (cmc's) were measured at several temperatures in the range 8-32-degrees-C for previously unknown 2-n-C14H29-[2.2.1], cryptand 1, in the presence of 1 equiv of either Na+ or Ca2+. Thermodynamic parameters for micelle formation by the complexes were assessed by using the cmc dependence on temperature, DELTA-H-degrees(mic), which was found to be 3.5 kJ/mol (0.84 kcal/mol) for Na+.1, (cmc at 26-degrees-C = 0.092 mM), and 8.4 kJ/mol (2.0 kcal/mol) for Ca2+.2 (cmc at 26-degrees-C = 0.583 mM). DELTA-S-degrees(mic) was 0.09 kJ/mol K for both complexes. The overall micellization process is entropy driven (large T-DELTA-S-degrees) while the major difference between the two complexes is of enthalpic origin. These results are compared to the ones observed for the K+ and Ba2+ complexes of known 2-n-C14H29-[2.2.2]cryptand. These observations help quantitate the problem of micellar surface charge.

  DOI：

  10.1021/jo00004a034
• 作为产物：
  描述：

  (1,2-hexadecanediyldioxy)diacetic acid 在 硼烷四氢呋喃络合物 、 三乙胺 作用下， 以 四氢呋喃 、 苯 为溶剂， 反应 28.0h， 生成 4,7,13,16,21-pentaoxa-1,10-diaza-5n-tetradecylbicyclo<8.8.5>tricosane
  参考文献：
  名称：

  Lipophilic derivatives of [2.2.1]- and [2.2.2]cryptands: thermodynamics of micellization of their alkali and alkaline-earth cryptates

  摘要：

  Critical micelle concentrations (cmc's) were measured at several temperatures in the range 8-32-degrees-C for previously unknown 2-n-C14H29-[2.2.1], cryptand 1, in the presence of 1 equiv of either Na+ or Ca2+. Thermodynamic parameters for micelle formation by the complexes were assessed by using the cmc dependence on temperature, DELTA-H-degrees(mic), which was found to be 3.5 kJ/mol (0.84 kcal/mol) for Na+.1, (cmc at 26-degrees-C = 0.092 mM), and 8.4 kJ/mol (2.0 kcal/mol) for Ca2+.2 (cmc at 26-degrees-C = 0.583 mM). DELTA-S-degrees(mic) was 0.09 kJ/mol K for both complexes. The overall micellization process is entropy driven (large T-DELTA-S-degrees) while the major difference between the two complexes is of enthalpic origin. These results are compared to the ones observed for the K+ and Ba2+ complexes of known 2-n-C14H29-[2.2.2]cryptand. These observations help quantitate the problem of micellar surface charge.

  DOI：

  10.1021/jo00004a034

文献信息

• Synthesis of [H+.cntnd.(1.1.1)]X- cryptates assisted by intramolecular hydrogen bonding
  作者：Pier Lucio Anelli、Fernando Montanari、Silvio Quici

  DOI：10.1021/jo00219a007

  日期：1985.9
• ANELLI, P. L.;MONTANARI, F.;QUICI, S., J. ORG. CHEM., 1985, 50, N 19, 3453-3457
  作者：ANELLI, P. L.、MONTANARI, F.、QUICI, S.

  DOI：——

  日期：——