1-[4-(1,1,2,2,3,3,4,4,4-九氟丁基)苯基]丁基二苯基磷酸酯 | 846543-02-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磷酸及其衍生物
• 中文名称: 1-[4-(1,1,2,2,3,3,4,4,4-九氟丁基)苯基]丁基二苯基磷酸酯
• 英文名称: diphenyl 1-[(4-perfluorobutyl)phenyl]-1-butylphosphate
• 英文别名: 1-[4-(Nonafluorobutyl)phenyl]butyl diphenyl phosphate；1-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]butyl diphenyl phosphate
• CAS: 846543-02-0
• 化学式: C₂₆H₂₂F₉O₄P
• 分子量: 600.418
• InChiKey: BSJHHWZXSDOVPC-UHFFFAOYSA-N

物化性质

• 沸点：
  490.7±45.0 °C(Predicted)
• 密度：
  1.367±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.8
• 重原子数：
  40
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  1-[4-(1,1,2,2,3,3,4,4,4-九氟丁基)苯基]丁基二苯基磷酸酯 在 sodium hydroxide 作用下， 以 1,4-二氧六环 为溶剂， 反应 2.0h， 以78%的产率得到sodium phenyl 1-[(4-perfluorobutyl)phenyl]-1-butylphosphate
  参考文献：
  名称：

  Synthesis of phosphate-type fluorocarbon–hydrocarbon hybrid surfactants and their adsorption onto calcium hydroxyapatite

  摘要：

  Five novel phosphate-type hybrid surfactants, CmF2m+1C6H4CH[OPO2(OC6H5)Na]CnH2n+1 (FmPHnPPhNa: m 4,6, 8; n = 3, 5), have been synthesized. When compared with sulfate-type hybrid surfactants, CmF2m+1C6H4CH(OSO3Na)CnH2n+1(C6H4 p-phenylene), the new hybrid surfactants were found to have comparable abilities to lower the surface tension of water. The critical micelle concentrations of FmPHnPPhNa followed Klevens' rule and their occupied areas per molecule increased with increasing m and n. Calcium hydroxyapatite (CaHAp) pellets modified with FmPH3PPhNa gave high hydro and lipophobic surfaces. The hybrid surfactants are expected to be useful as new dental reagents for oral hygiene. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2004.05.015
• 作为产物：
  描述：

  1-(4-碘苯基)丁烷-1-酮 在 吡啶 、 4-二甲氨基吡啶 、 sodium tetrahydroborate 、 铜 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 二甲基亚砜 为溶剂， 反应 10.0h， 生成 1-[4-(1,1,2,2,3,3,4,4,4-九氟丁基)苯基]丁基二苯基磷酸酯
  参考文献：
  名称：

  Synthesis of phosphate-type fluorocarbon–hydrocarbon hybrid surfactants and their adsorption onto calcium hydroxyapatite

  摘要：

  Five novel phosphate-type hybrid surfactants, CmF2m+1C6H4CH[OPO2(OC6H5)Na]CnH2n+1 (FmPHnPPhNa: m 4,6, 8; n = 3, 5), have been synthesized. When compared with sulfate-type hybrid surfactants, CmF2m+1C6H4CH(OSO3Na)CnH2n+1(C6H4 p-phenylene), the new hybrid surfactants were found to have comparable abilities to lower the surface tension of water. The critical micelle concentrations of FmPHnPPhNa followed Klevens' rule and their occupied areas per molecule increased with increasing m and n. Calcium hydroxyapatite (CaHAp) pellets modified with FmPH3PPhNa gave high hydro and lipophobic surfaces. The hybrid surfactants are expected to be useful as new dental reagents for oral hygiene. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2004.05.015

文献信息

• Synthesis of phosphate-type fluorocarbon–hydrocarbon hybrid surfactants and their adsorption onto calcium hydroxyapatite
  作者：Haruhiko Miyazawa、Hiroyuki Yokokura、Yuki Ohkubo、Yukishige Kondo、Norio Yoshino

  DOI：10.1016/j.jfluchem.2004.05.015

  日期：2004.10

  Five novel phosphate-type hybrid surfactants, CmF2m+1C6H4CH[OPO2(OC6H5)Na]CnH2n+1 (FmPHnPPhNa: m 4,6, 8; n = 3, 5), have been synthesized. When compared with sulfate-type hybrid surfactants, CmF2m+1C6H4CH(OSO3Na)CnH2n+1(C6H4 p-phenylene), the new hybrid surfactants were found to have comparable abilities to lower the surface tension of water. The critical micelle concentrations of FmPHnPPhNa followed Klevens' rule and their occupied areas per molecule increased with increasing m and n. Calcium hydroxyapatite (CaHAp) pellets modified with FmPH3PPhNa gave high hydro and lipophobic surfaces. The hybrid surfactants are expected to be useful as new dental reagents for oral hygiene. (C) 2004 Elsevier B.V. All rights reserved.