trifluoromethanesulfonate;tris[2-[4-[[dichlorophosphinothioyl(methyl)hydrazinylidene]methyl]phenoxy]ethyl]-methylazanium | 1213236-65-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: trifluoromethanesulfonate;tris[2-[4-[[dichlorophosphinothioyl(methyl)hydrazinylidene]methyl]phenoxy]ethyl]-methylazanium
• CAS: 1213236-65-7
• 化学式: CF₃O₃S*C₃₁H₃₉Cl₆N₇O₃P₃S₃
• 分子量: 1108.6
• InChiKey: CHDUMGNHBOJYTG-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  10.62
• 重原子数：
  61.0
• 可旋转键数：
  21.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  131.69
• 氢给体数：
  0.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  trifluoromethanesulfonate;tris[2-[4-[[dichlorophosphinothioyl(methyl)hydrazinylidene]methyl]phenoxy]ethyl]-methylazanium 、 4-羟基苯甲酸叔丁酯 在 caesium carbonate 作用下， 以 四氢呋喃 为溶剂， 以86%的产率得到
  参考文献：
  名称：

  Designing dendrimers for ocular drug delivery

  摘要：

  New series of phosphorus-containing dendrimers, having one quaternary ammonium salt as core and carboxylic acid terminal groups have been synthesized from generation 0 (3 carboxylic acid terminal groups) to generation 2 (12 carboxylic acid terminal groups). These dendrimers react with the neutral form of carteolol (an ocular anti-hypertensive drug used to treat glaucoma) to afford ion pair (saline) species. The solubility in water of these charged dendrimers depends on the generation considered: generation 0 (3 carteolol) is well soluble, whereas generation 1 (6 carteolol) and generation 2 (12 carteolol) are poorly soluble. These dendrimers have been tested in vivo, as vehicle for ocular drug delivery of carteolol to rabbits. (C) 2009 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2009.10.017
• 作为产物：
  描述：

  Trifluoromethanesulfonate;tris[2-(4-formylphenoxy)ethyl]-methylazanium 、 dichloro(1-methylhydrazido)thiophosphane 以 氯仿 、 乙腈 为溶剂， 反应 0.33h， 以92%的产率得到trifluoromethanesulfonate;tris[2-[4-[[dichlorophosphinothioyl(methyl)hydrazinylidene]methyl]phenoxy]ethyl]-methylazanium
  参考文献：
  名称：

  Designing dendrimers for ocular drug delivery

  摘要：

  New series of phosphorus-containing dendrimers, having one quaternary ammonium salt as core and carboxylic acid terminal groups have been synthesized from generation 0 (3 carboxylic acid terminal groups) to generation 2 (12 carboxylic acid terminal groups). These dendrimers react with the neutral form of carteolol (an ocular anti-hypertensive drug used to treat glaucoma) to afford ion pair (saline) species. The solubility in water of these charged dendrimers depends on the generation considered: generation 0 (3 carteolol) is well soluble, whereas generation 1 (6 carteolol) and generation 2 (12 carteolol) are poorly soluble. These dendrimers have been tested in vivo, as vehicle for ocular drug delivery of carteolol to rabbits. (C) 2009 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2009.10.017