N-(3-(hydroxymethyl)benzyl)-N-(2-((N-(2-((N-(3-(hydroxymethyl)benzyl)-4-methylphenyl)sulfonamido)ethyl)-4-methylphenyl)sulfonamido)ethyl)-4-methylbenzenesulfonamide | 441799-21-9

• 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: N-(3-(hydroxymethyl)benzyl)-N-(2-((N-(2-((N-(3-(hydroxymethyl)benzyl)-4-methylphenyl)sulfonamido)ethyl)-4-methylphenyl)sulfonamido)ethyl)-4-methylbenzenesulfonamide
• CAS: 441799-21-9
• 化学式: C₄₁H₄₇N₃O₈S₃
• 分子量: 806.037
• InChiKey: RLZSRWZXCZGIDC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.37
• 重原子数：
  55.0
• 可旋转键数：
  18.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  152.6
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  N-(3-(hydroxymethyl)benzyl)-N-(2-((N-(2-((N-(3-(hydroxymethyl)benzyl)-4-methylphenyl)sulfonamido)ethyl)-4-methylphenyl)sulfonamido)ethyl)-4-methylbenzenesulfonamide 在 manganese(IV) oxide 作用下， 以 二氯甲烷 为溶剂， 以78%的产率得到N-(3-formylbenzyl)-N-(2-((N-(2-((N-(3-formylbenzyl)-4-methylphenyl)sulfonamido)ethyl)-4-methylphenyl)sulfonamido)ethyl)-4-methylbenzenesulfonamide
  参考文献：
  名称：

  An Enaminone-Directed Benzannulation/Macrocyclization Approach to Cyclophane Ring Systems

  摘要：

  A straightforward and modular preparative approach to 1,3,5-triaroylbenzene-based functionalized cyclophane ring systems has been developed. The key cyclophane-forming macrocyclization reaction was accomplished during the course of a regioselective cross-benzannulation between bis(aryl ethynyl) ketone and enaminone reactants. Macrocyclic products with ring sizes ranging from 18-to 22-membered were successfully constructed. The composition of the tether connecting the two aryl ethynyl ketone fragments can be easily varied; consequently, this method is suitable for construction of a diverse range of structurally distinct cyclophane products. To illustrate this feature, cyclophanes possessing xylyl, alkyl, di(ethylene triamine), and di(ethylene oxy) bridging units were synthesized in isolated yields of 11-46%. Three new cyclophanes (calixarene-like macrocyles 8 and 9, as well as crownophane 18) were structurally characterized by X-ray diffractometry.

  DOI：

  10.1021/jo0256181
• 作为产物：
  描述：

  dimethyl 3,3'-((((tosylazanediyl)bis(ethane-2,1-diyl))bis(tosylazanediyl))bis(methylene))dibenzoate 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 以86%的产率得到N-(3-(hydroxymethyl)benzyl)-N-(2-((N-(2-((N-(3-(hydroxymethyl)benzyl)-4-methylphenyl)sulfonamido)ethyl)-4-methylphenyl)sulfonamido)ethyl)-4-methylbenzenesulfonamide
  参考文献：
  名称：

  An Enaminone-Directed Benzannulation/Macrocyclization Approach to Cyclophane Ring Systems

  摘要：

  A straightforward and modular preparative approach to 1,3,5-triaroylbenzene-based functionalized cyclophane ring systems has been developed. The key cyclophane-forming macrocyclization reaction was accomplished during the course of a regioselective cross-benzannulation between bis(aryl ethynyl) ketone and enaminone reactants. Macrocyclic products with ring sizes ranging from 18-to 22-membered were successfully constructed. The composition of the tether connecting the two aryl ethynyl ketone fragments can be easily varied; consequently, this method is suitable for construction of a diverse range of structurally distinct cyclophane products. To illustrate this feature, cyclophanes possessing xylyl, alkyl, di(ethylene triamine), and di(ethylene oxy) bridging units were synthesized in isolated yields of 11-46%. Three new cyclophanes (calixarene-like macrocyles 8 and 9, as well as crownophane 18) were structurally characterized by X-ray diffractometry.

  DOI：

  10.1021/jo0256181