zirconium(IV) (sulfomethyl)phosphonate dodecylphosphonate | 145425-42-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: zirconium(IV) (sulfomethyl)phosphonate dodecylphosphonate
• CAS: 145425-42-9
• 化学式: CH₃O₆PS*C₁₂H₂₅O₃P*Zr
• 分子量: 513.597
• InChiKey: WCYJWSLOVYECDU-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  0.56
• 重原子数：
  26.0
• 可旋转键数：
  13.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  180.75
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  zirconyl chloride octahydrate 、 正十二烷基磷酸 、 phosphonomethanesulfonic acid 以 水 为溶剂， 生成 zirconium(IV) (sulfomethyl)phosphonate dodecylphosphonate
  参考文献：
  名称：

  Two-dimensional composite zirconium phosphonates: preparation and catalytic activities

  摘要：

  Composite zirconium phosphonates in single crystal phase have been investigated and characterized by XRD, C-13-, and P-31-MASNMR. These compounds are lamellar structures comprising zirconium organophosphonates. Each layer consists of planes of zirconium bridged through phosphonate groups that alternate above and below the Zr atom planes, oriented away from the basal surfaces in a bilayered fashion in the interlayer region. The catalytic performance over zirconium phosphonates is evaluated by esterification of acetic acid. When the composite zirconium phosphonate includes an acidic function and with a hydrophobic function in single crystal phase, the catalytic activity showed a higher activity than that of sulfonic acid catalyst. The composite zirconium phosphonates become accessible to any reactant molecule and improve hydrophobicity around acidic sites. (C) 1999 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s1381-1169(98)00268-4