10-(1-n-decyloxy-2-hydroxypropyl)-2,6-dioxo-1,4,7,10-tetraazacyclododecane | 488702-68-7

• 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: 10-(1-n-decyloxy-2-hydroxypropyl)-2,6-dioxo-1,4,7,10-tetraazacyclododecane
• 英文别名: 10-(3-Decoxy-2-hydroxypropyl)-1,4,7,10-tetrazacyclododecane-2,6-dione
• CAS: 488702-68-7
• 化学式: C₂₁H₄₂N₄O₄
• 分子量: 414.589
• InChiKey: NGCBLVODPSMJBZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  29
• 可旋转键数：
  13
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  103
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  zinc perchlorate 、 10-(1-n-decyloxy-2-hydroxypropyl)-2,6-dioxo-1,4,7,10-tetraazacyclododecane 以 乙醇 为溶剂， 以58%的产率得到(10-(1-n-decyloxy-2-hydroxypropyl)-2,6-dioxo-1,4,7,10-tetraazacyclododecane)Zn(II)(ClO4)2
  参考文献：
  名称：

  Phosphodiester hydrolysis by metal ion macrocyclic dioxotetraamine complexes bearing alcohol pendant in comicellar solution

  摘要：

  Four new long chain alkyl substituted 2,6-dioxo-1,4,7,10-tetraazacyclododecanes bearing an alcohol pendant has been synthesized. They coordinate with metal ion (Zn2+, Cu2+, Ni2+, Co2+) to yield 1:1 five-coordinate complexes. The catalytic properties of these complexes have been investigated for the hydrolysis of bis(p-nitrophenyl) phosphate (BNPP) in comicellar solution. The alcohol pendant has a profound effect on the catalytic properties of macrocyclic complexes, and the nature of transition metal ion, micellar microenvironment, hydrolysis temperature, hydrophobic interactions between the metallocatalyst and substrate are also important factors in the hydrolysis of BNPP. Under the physiological conditions (pH = 7.41,35+/-0.1degreesC), the complexes exhibit higher catalytic activity (up to over 2-3 orders of magnitude) than metal ion or ligand alone in the hydrolysis of BNPP in comicellar solution with 2 mM Brij 35. (C) 2002 Published by Elsevier Science B.V.

  DOI：

  10.1016/s1381-1169(02)00276-5