1-(morpholin-4-yl)-6,8,8,9,11,11,12,12,13,13,13-undecafluoro-6,9-bis(trifluoromethyl)-4,7,10-trioxatridecan-2-ol | 1329068-83-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 甘油脂
• 英文名称: 1-(morpholin-4-yl)-6,8,8,9,11,11,12,12,13,13,13-undecafluoro-6,9-bis(trifluoromethyl)-4,7,10-trioxatridecan-2-ol
• 英文别名: 1-(Morpholin-4-yl)-6,8,8,9,11,11,12,12,13,13,13-undecafluoro-6,9-bis(trifluoromethyl)-4,7,10-trioxa-tridecanol-2；1-morpholin-4-yl-3-[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propan-2-ol
• CAS: 1329068-83-8
• 化学式: C₁₆H₁₆F₁₇NO₅
• 分子量: 625.28
• InChiKey: LWTBHKZODPKZMF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  39
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  60.4
• 氢给体数：
  1
• 氢受体数：
  23

反应信息

• 作为反应物：
  描述：

  1-(morpholin-4-yl)-6,8,8,9,11,11,12,12,13,13,13-undecafluoro-6,9-bis(trifluoromethyl)-4,7,10-trioxatridecan-2-ol 、 碘甲烷 以 丙酮 为溶剂， 反应 1.0h， 以98%的产率得到N-methyl-N-[2-hydroxy-6,8,8,9,11,11,12,12,13,13,-13-undecafloro-6,9-bis(trifluoromethyl)-4,7,10-trioxatridecyl]morpholinium iodide
  参考文献：
  名称：

  Synthesis and inhibiting capacity of new fluorine-containing quaternary ammonium salts

  摘要：

  New fluorine-containing quaternary ammonium salts exhibiting a high inhibiting capacity against hydrochloric acid corrosion of low-carbon steels were synthesized. The polarization resistance method was used to determine the uniform-corrosion rates of steel-3 and steel-35 in relation to the structure of fluorine-containing moieties of quaternary ammonium salts and their concentration.

  DOI：

  10.1134/s1070427211060127
• 作为产物：
  描述：

  吗啉 、 2,4,4,5,7,7,8,8,9,9,9-undecafluoro-2,5-bis(trifluoromethyl)-3,6-dioxanonyloxymethyloxirane 反应 3.0h， 以72%的产率得到1-(morpholin-4-yl)-6,8,8,9,11,11,12,12,13,13,13-undecafluoro-6,9-bis(trifluoromethyl)-4,7,10-trioxatridecan-2-ol
  参考文献：
  名称：

  Synthesis and inhibiting capacity of new fluorine-containing quaternary ammonium salts

  摘要：

  New fluorine-containing quaternary ammonium salts exhibiting a high inhibiting capacity against hydrochloric acid corrosion of low-carbon steels were synthesized. The polarization resistance method was used to determine the uniform-corrosion rates of steel-3 and steel-35 in relation to the structure of fluorine-containing moieties of quaternary ammonium salts and their concentration.

  DOI：

  10.1134/s1070427211060127