N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide | 1542317-49-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
• CAS: 1542317-49-6
• 化学式: C₂₀H₂₃N₃O₂S
• 分子量: 369.488
• InChiKey: CUKFVMSLLSKKHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.22
• 重原子数：
  26.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  63.99
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide 、 三甲基铝 以 四氢呋喃 为溶剂， 反应 1.0h， 以65%的产率得到(NSO₂Ph^TriMePz^Me)AlMe₂
  参考文献：
  名称：

  Synthesis, characterization and catalytic studies of aluminium complexes containing sulfonamido–oxazolinate or –pyrazolinate ligands

  摘要：

  A series of sulfonamido-oxazolinate ligand precursors, HNSO(2)Ph(H)Oxa, HNSO(2)Ph(Me)Oxa, HNSO(2)Ph(TriMe)Oxa, or sulfonamido-pyrazolinate ligand precursors, HNSO(2)Ph(H)Pz(H), HNSO(2)Ph(Me)Pz(H), HNSO(2)Ph(TriMe)Pz(H), HNSO(2)Ph(F)Pz(H), HNSO(2)Ph(H)Pz(Me), HNSO(2)Ph(Me)Pz(Me), HNSO(2)Ph(TriMe)Pz(Me), have been prepared. Treatment of ligand precursors, HNSO(2)Ph(A)Oxa or HNSO(2)Ph(A)Pz(B), with 1.1 equiv. of AlMe3 in THF affords aluminium sulfonamido-oxazolinate dimethyl complexes, (NSO(2)Ph(A)Oxa)AlMe2 [A = H (1); A = Me (2); A = TriMe, (3)], or aluminium sulfonamido-pyrazolinate dimethyl complexes, (NSO(2)Ph(A)Pz(B))AlMe2 [A = H, B = H (4); A = Me, B = H (5); A = TriMe, B = H (6); A = F, B = H (7); A = H, B = Me (8); A = Me, B = Me (9); A = TriMe, B = Me (10)]. The aluminium bis(sulfonamido-pyrazolinate) methyl complex 5' was isolated from recrystallization of 5 as minor product. The molecular structures of compounds 2, 5' and 8 were determined by single-crystal X-ray diffraction techniques. Their catalytic activities towards the ring opening polymerization of epsilon-caprolactone in the presence of benzyl alcohol are also under investigation. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2013.12.022
• 作为产物：
  描述：

  2,4,6-三甲基苯磺酰氯 、 2-(3,5-二甲基-吡唑-1-基)-苯胺 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以45%的产率得到N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
  参考文献：
  名称：

  Synthesis, characterization and catalytic studies of aluminium complexes containing sulfonamido–oxazolinate or –pyrazolinate ligands

  摘要：

  A series of sulfonamido-oxazolinate ligand precursors, HNSO(2)Ph(H)Oxa, HNSO(2)Ph(Me)Oxa, HNSO(2)Ph(TriMe)Oxa, or sulfonamido-pyrazolinate ligand precursors, HNSO(2)Ph(H)Pz(H), HNSO(2)Ph(Me)Pz(H), HNSO(2)Ph(TriMe)Pz(H), HNSO(2)Ph(F)Pz(H), HNSO(2)Ph(H)Pz(Me), HNSO(2)Ph(Me)Pz(Me), HNSO(2)Ph(TriMe)Pz(Me), have been prepared. Treatment of ligand precursors, HNSO(2)Ph(A)Oxa or HNSO(2)Ph(A)Pz(B), with 1.1 equiv. of AlMe3 in THF affords aluminium sulfonamido-oxazolinate dimethyl complexes, (NSO(2)Ph(A)Oxa)AlMe2 [A = H (1); A = Me (2); A = TriMe, (3)], or aluminium sulfonamido-pyrazolinate dimethyl complexes, (NSO(2)Ph(A)Pz(B))AlMe2 [A = H, B = H (4); A = Me, B = H (5); A = TriMe, B = H (6); A = F, B = H (7); A = H, B = Me (8); A = Me, B = Me (9); A = TriMe, B = Me (10)]. The aluminium bis(sulfonamido-pyrazolinate) methyl complex 5' was isolated from recrystallization of 5 as minor product. The molecular structures of compounds 2, 5' and 8 were determined by single-crystal X-ray diffraction techniques. Their catalytic activities towards the ring opening polymerization of epsilon-caprolactone in the presence of benzyl alcohol are also under investigation. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2013.12.022