N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide | 1542317-48-5

• 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]-4-methylbenzenesulfonamide
• CAS: 1542317-48-5
• 化学式: C₁₈H₁₉N₃O₂S
• 分子量: 341.434
• InChiKey: MTZZTQYXLCZIGU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  24.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 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]-4-methylbenzenesulfonamide 、 三甲基铝 以 四氢呋喃 为溶剂， 反应 1.0h， 以70%的产率得到(NSO₂Ph^MePz^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-(3,5-二甲基-吡唑-1-基)-苯胺 、 对甲苯磺酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以60%的产率得到N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide
  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

文献信息

• Synthesis, characterization and catalytic studies of aluminium complexes containing sulfonamido–oxazolinate or –pyrazolinate ligands
  作者：Chi-Tien Chen、Chien-Hung Liao、Kuo-Fu Peng、Ming-Tsz Chen、Tzu-Lun Huang

  DOI：10.1016/j.jorganchem.2013.12.022

  日期：2014.3

  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.