tris(2-(4-amino-N-(4-aminobenzyl)-benzenesulfonamidoethyl))amine | 684236-33-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: tris(2-(4-amino-N-(4-aminobenzyl)-benzenesulfonamidoethyl))amine
• 英文别名: 4-amino-N-[(4-aminophenyl)methyl]-N-[2-[bis[2-[(4-aminophenyl)methyl-(4-aminophenyl)sulfonylamino]ethyl]amino]ethyl]benzenesulfonamide
• CAS: 684236-33-7
• 化学式: C₄₅H₅₄N₁₀O₆S₃
• 分子量: 927.185
• InChiKey: XIRHQBCASSYWSS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  64
• 可旋转键数：
  21
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  297
• 氢给体数：
  6
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  对甲苯磺酰氯 、 tris(2-(4-amino-N-(4-aminobenzyl)-benzenesulfonamidoethyl))amine 在 三乙胺 作用下， 反应 48.0h， 以33%的产率得到N-[4-[[2-[bis[2-[[4-[bis-(4-methylphenyl)sulfonylamino]phenyl]methyl-[4-[bis-(4-methylphenyl)sulfonylamino]phenyl]sulfonylamino]ethyl]amino]ethyl-[4-[bis-(4-methylphenyl)sulfonylamino]phenyl]sulfonylamino]methyl]phenyl]-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
  参考文献：
  名称：

  Controllable, Selective Per-Functionalization of Dendritic Oligoamines

  摘要：

  A method allowing for an unprecedented controllable functionalization of oligoamines via N,N-bis-sulfonylation with various sulfonyl chlorides has been developed. Depending on the nature of the sufonyl chloride and reaction conditions such as base, time of reaction, and temperature, each amino group can be selectively mono- or bis-sufonylated. The procedure was investigated in detail with the model substance tris(2-aminoethyl)amine and applied for the preparation of dumbbell-shaped coupled dendrons and second-generation sulfonimide-decorated dendrimers.

  DOI：

  10.1021/ol030130n
• 作为产物：
  描述：

  对硝基苯磺酰氯 在 盐酸 、 caesium carbonate 、 三乙胺 、 tin(ll) chloride 作用下， 以 乙醇 、 氯仿 、 乙腈 为溶剂， 反应 79.0h， 生成 tris(2-(4-amino-N-(4-aminobenzyl)-benzenesulfonamidoethyl))amine
  参考文献：
  名称：

  Controllable, Selective Per-Functionalization of Dendritic Oligoamines

  摘要：

  A method allowing for an unprecedented controllable functionalization of oligoamines via N,N-bis-sulfonylation with various sulfonyl chlorides has been developed. Depending on the nature of the sufonyl chloride and reaction conditions such as base, time of reaction, and temperature, each amino group can be selectively mono- or bis-sufonylated. The procedure was investigated in detail with the model substance tris(2-aminoethyl)amine and applied for the preparation of dumbbell-shaped coupled dendrons and second-generation sulfonimide-decorated dendrimers.

  DOI：

  10.1021/ol030130n