{3,5-(二甲基吡唑-1-基)-4-己氧基-1-羰基}苯 | 1006670-28-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: {3,5-(二甲基吡唑-1-基)-4-己氧基-1-羰基}苯
• 英文名称: {3,5-(dimethylpyrazol-1-yl)-4-hexyloxy-1-carbonyl}benzene
• 英文别名: (3,5-Dimethylpyrazol-1-yl)-(4-hexoxyphenyl)methanone
• CAS: 1006670-28-5
• 化学式: C₁₈H₂₄N₂O₂
• 分子量: 300.401
• InChiKey: NHKLFOFLJIFTEL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  {3,5-(二甲基吡唑-1-基)-4-己氧基-1-羰基}苯 、 以 二氯甲烷 为溶剂， 反应 24.0h， 以42%的产率得到
  参考文献：
  名称：

  (Pyrazol-1-yl)carbonyl palladium complexes as catalysts for ethylene polymerization reaction

  摘要：

  Reactions of two equivalents of {3,5-(dimethylpyrazol-1-yl)-4-methoxy-1-carbonyl}benzene (L1), {3,5-(dimethylpyrazol-1-yl)-4-ethoxy-1-carbonyl}benzene (L2), {3,5-(dimethylpyrazol-1-yl)-4-hexyloxy-1-carbonyl}benzene (L3), and {3,5-(dimethylpyrazol-1-yl)-4-dodecycloxy-1-carbonyl}benzene (L4) with one equivalent of [Pd(NCMe)(2)Cl-2] produced the corresponding monometallic complexes, [Pd(L1)(2)Cl-2) (1), [Pd(L2)(2)Cl-2) (2), [Pd(L3)(2)Cl-2) (3) and [Pd(L4)(2)Cl-2) (4) in good yields. Solid state structures of 2 and 4 confirmed the monodentate character of L1-L4 and trans configuration of the palladium complexes. Activation of 1-4, and the furanyl and thiophenyl carbonyl pyrazolyl palladium complexes: [Pd((Me)pzCOfn)(2)Cl-2] (5), [Pd((Me)pzCOth)(2)Cl-2] (6), [Pd((tBu)pzCOfn)(2)Cl-2] (7) and [Pd((tBu)pzCOfn)(2)Cl-2] (8) (fn = furan, th = thiophene) with MAO produced catalysts for the polymerization of ethylene with moderate activities; forming linear high density polyethylene. The structure of the complexes had a significant effect on both the activity of the catalysts and nature of the polymers obtained. (C) 2012 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2012.10.036
• 作为产物：
  描述：

  3,5-二甲基吡唑 、 4-已氧基苯甲酰氯 在 三乙胺 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以80%的产率得到{3,5-(二甲基吡唑-1-基)-4-己氧基-1-羰基}苯
  参考文献：
  名称：

  (Pyrazol-1-yl)carbonyl palladium complexes as catalysts for ethylene polymerization reaction

  摘要：

  Reactions of two equivalents of {3,5-(dimethylpyrazol-1-yl)-4-methoxy-1-carbonyl}benzene (L1), {3,5-(dimethylpyrazol-1-yl)-4-ethoxy-1-carbonyl}benzene (L2), {3,5-(dimethylpyrazol-1-yl)-4-hexyloxy-1-carbonyl}benzene (L3), and {3,5-(dimethylpyrazol-1-yl)-4-dodecycloxy-1-carbonyl}benzene (L4) with one equivalent of [Pd(NCMe)(2)Cl-2] produced the corresponding monometallic complexes, [Pd(L1)(2)Cl-2) (1), [Pd(L2)(2)Cl-2) (2), [Pd(L3)(2)Cl-2) (3) and [Pd(L4)(2)Cl-2) (4) in good yields. Solid state structures of 2 and 4 confirmed the monodentate character of L1-L4 and trans configuration of the palladium complexes. Activation of 1-4, and the furanyl and thiophenyl carbonyl pyrazolyl palladium complexes: [Pd((Me)pzCOfn)(2)Cl-2] (5), [Pd((Me)pzCOth)(2)Cl-2] (6), [Pd((tBu)pzCOfn)(2)Cl-2] (7) and [Pd((tBu)pzCOfn)(2)Cl-2] (8) (fn = furan, th = thiophene) with MAO produced catalysts for the polymerization of ethylene with moderate activities; forming linear high density polyethylene. The structure of the complexes had a significant effect on both the activity of the catalysts and nature of the polymers obtained. (C) 2012 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2012.10.036

文献信息

• (Pyrazol-1-yl)carbonyl palladium complexes as catalysts for ethylene polymerization reaction
  作者：Hosana D. Mkoyi、Stephen O. Ojwach、Ilia A. Guzei、James Darkwa

  DOI：10.1016/j.jorganchem.2012.10.036

  日期：2013.1

  Reactions of two equivalents of 3,5-(dimethylpyrazol-1-yl)-4-methoxy-1-carbonyl}benzene (L1), 3,5-(dimethylpyrazol-1-yl)-4-ethoxy-1-carbonyl}benzene (L2), 3,5-(dimethylpyrazol-1-yl)-4-hexyloxy-1-carbonyl}benzene (L3), and 3,5-(dimethylpyrazol-1-yl)-4-dodecycloxy-1-carbonyl}benzene (L4) with one equivalent of [Pd(NCMe)(2)Cl-2] produced the corresponding monometallic complexes, [Pd(L1)(2)Cl-2) (1), [Pd(L2)(2)Cl-2) (2), [Pd(L3)(2)Cl-2) (3) and [Pd(L4)(2)Cl-2) (4) in good yields. Solid state structures of 2 and 4 confirmed the monodentate character of L1-L4 and trans configuration of the palladium complexes. Activation of 1-4, and the furanyl and thiophenyl carbonyl pyrazolyl palladium complexes: [Pd((Me)pzCOfn)(2)Cl-2] (5), [Pd((Me)pzCOth)(2)Cl-2] (6), [Pd((tBu)pzCOfn)(2)Cl-2] (7) and [Pd((tBu)pzCOfn)(2)Cl-2] (8) (fn = furan, th = thiophene) with MAO produced catalysts for the polymerization of ethylene with moderate activities; forming linear high density polyethylene. The structure of the complexes had a significant effect on both the activity of the catalysts and nature of the polymers obtained. (C) 2012 Elsevier B. V. All rights reserved.