N,N'-bis[(4-methylphenyl)sulfonyl]-1-isobutyl-2-butyne-1,4-diamine | 1353055-36-3

• 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,N'-bis[(4-methylphenyl)sulfonyl]-1-isobutyl-2-butyne-1,4-diamine
• 英文别名: 4-methyl-N-[6-methyl-4-[(4-methylphenyl)sulfonylamino]hept-2-ynyl]benzenesulfonamide
• CAS: 1353055-36-3
• 化学式: C₂₂H₂₈N₂O₄S₂
• 分子量: 448.607
• InChiKey: RMQDLZHRSAZYGD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N,N'-bis(4-chloro-2-butynyl)-(4-methylphenyl)sulfonamide 、 N,N'-bis[(4-methylphenyl)sulfonyl]-1-isobutyl-2-butyne-1,4-diamine 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 25.0h， 以74%的产率得到2-isobutyl-1,6,11-tris[(4-methylphenyl)sulfonyl]-1,6,11-triazacyclopentadeca-3,8,13-triyne
  参考文献：
  名称：

  Rhodium(I)-Catalyzed [2 + 2 + 2] Cycloaddition Reactions of Triacetylenic 15-Membered Aza Macrocycles: A Comparative Structural Study

  摘要：

  A variety of new nitrogen-containing 15-membered triacetylenic macrocycles with one or two alkyl substituents in a propargylic position have been efficiently synthesized and completely characterized. These macrocyclic systems undergo [2 + 2 + 2] cycloaddition reactions, leading to the corresponding fused tetracycles with a benzene core on treatment with Wilkinson's catalyst, [RhCl(PPh3)(3)]. The effects of alkyl chains have been evaluated on both the efficiency of the reaction and the conformational and structural analysis of the reactants.

  DOI：

  10.1021/om200927f
• 作为产物：
  描述：

  异戊醛 在 正丁基锂 、 偶氮二甲酸二异丙酯 、 三苯基膦 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 9.5h， 生成 N,N'-bis[(4-methylphenyl)sulfonyl]-1-isobutyl-2-butyne-1,4-diamine
  参考文献：
  名称：

  Rhodium(I)-Catalyzed [2 + 2 + 2] Cycloaddition Reactions of Triacetylenic 15-Membered Aza Macrocycles: A Comparative Structural Study

  摘要：

  A variety of new nitrogen-containing 15-membered triacetylenic macrocycles with one or two alkyl substituents in a propargylic position have been efficiently synthesized and completely characterized. These macrocyclic systems undergo [2 + 2 + 2] cycloaddition reactions, leading to the corresponding fused tetracycles with a benzene core on treatment with Wilkinson's catalyst, [RhCl(PPh3)(3)]. The effects of alkyl chains have been evaluated on both the efficiency of the reaction and the conformational and structural analysis of the reactants.

  DOI：

  10.1021/om200927f