(1,2-hexadecanediyldioxy)diacetic acid | 56741-58-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (1,2-hexadecanediyldioxy)diacetic acid
• 英文别名: (1-tetradecyl-ethane-1,2-diyldioxy)-bis-acetic acid；Acetic acid, 2,2'-[(1-tetradecyl-1,2-ethanediyl)bis(oxy)]bis-；2-[2-(carboxymethoxy)hexadecoxy]acetic acid
• CAS: 56741-58-3
• 化学式: C₂₀H₃₈O₆
• 分子量: 374.518
• InChiKey: NUIUDJBARPVYCE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  26
• 可旋转键数：
  20
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  93.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (1,2-hexadecanediyldioxy)diacetic acid 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 、 苯 为溶剂， 生成 2-Tetradecyl-7,16-diaza-18-Krone-6
  参考文献：
  名称：

  Synthesis of Alkyl-Substituted Crown Ethers: Efficient Phase-transfer Catalysts

  摘要：

  DOI：

  10.1055/s-1976-24101
• 作为产物：
  描述：

  1,2-十六烷二醇 以68%的产率得到
  参考文献：
  名称：

  CINQUINI M.; TUNDO P., SYNTHESIS , 1976, NO 8, 516-519

  摘要：

  DOI：

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
• Lipophilic derivatives of [2.2.1]- and [2.2.2]cryptands: thermodynamics of micellization of their alkali and alkaline-earth cryptates
  作者：Toni L. Lauricella、Manuel Lopez、Steven R. Miller、George W. Gokel、Luis Echegoyen、Lourdes E. Echegoyen

  DOI：10.1021/jo00004a034

  日期：1991.2

  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.
• 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：——