4-methyl-N,N-bis[2-[(4-methylphenyl)sulfonyl-[(4-prop-2-ynoylphenyl)methyl]amino]ethyl]benzenesulfonamide | 441799-29-7

• 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: 4-methyl-N,N-bis[2-[(4-methylphenyl)sulfonyl-[(4-prop-2-ynoylphenyl)methyl]amino]ethyl]benzenesulfonamide
• CAS: 441799-29-7
• 化学式: C₄₅H₄₃N₃O₈S₃
• 分子量: 850.05
• InChiKey: VVLQXESRWOAMTE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  59
• 可旋转键数：
  18
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  171
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  3-dimethylamino-1-(3-methoxyphenyl)-prop-2-en-1-one 、 4-methyl-N,N-bis[2-[(4-methylphenyl)sulfonyl-[(4-prop-2-ynoylphenyl)methyl]amino]ethyl]benzenesulfonamide 以 二氯甲烷 、 甲苯 为溶剂， 以34%的产率得到5-(3-Methoxybenzoyl)-14,17,20-tris-(4-methylphenyl)sulfonyl-14,17,20-triazatetracyclo[20.2.2.29,12.13,7]nonacosa-1(24),3(29),4,6,9(28),10,12(27),22,25-nonaene-2,8-dione
  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：

  Na2Ts3DET 在 manganese(IV) oxide 、 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 、 二氯甲烷 、 丙酮 为溶剂， 生成 4-methyl-N,N-bis[2-[(4-methylphenyl)sulfonyl-[(4-prop-2-ynoylphenyl)methyl]amino]ethyl]benzenesulfonamide
  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