1,3-bis(3,5-di-tert-butylpyrazolyl-1-carbonyl)benzene | 548440-05-7

• 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: 1,3-bis(3,5-di-tert-butylpyrazolyl-1-carbonyl)benzene
• 英文别名: [3-(3,5-Ditert-butylpyrazole-1-carbonyl)phenyl]-(3,5-ditert-butylpyrazol-1-yl)methanone
• CAS: 548440-05-7
• 化学式: C₃₀H₄₂N₄O₂
• 分子量: 490.689
• InChiKey: CJMMXYCIZPBGJK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  69.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  双(乙腈)氯化钯(II) 、 1,3-bis(3,5-di-tert-butylpyrazolyl-1-carbonyl)benzene 以 二氯甲烷 为溶剂， 以95%的产率得到di-μ-chloro-dichloro[1,3-bis(3,5-di-tert-butylpyrazolyl-1-carbonyl)benzene]dipalladium(II)
  参考文献：
  名称：

  Benzenedicarbonyl and benzenetricarbonyl linker pyrazolyl complexes of palladium(ii): synthesis, X-ray structures and evaluation as ethylene polymerisation catalystsElectronic supplementary information (ESI) available: molecular structures and bond lengths and angles for L2, L3, L6 and 2. See http://www.rsc.org/suppdata/dt/b2/b208376k/

  摘要：

  A series of novel compounds with pyrazolyl rings (pz) linked by benzenedicarbonyl (L1-L4) and benzenetricarbonyl (L5, L6) have been prepared and structurally characterized. The mutual orientation of their rings was studied by molecular mechanics. These polydentate species react with PdCl2(NCMe)(2) to yield dinuclear complexes in which the Pd centers coordinate to one or two pz units, a terminal chloride and two bridging chloride ligands. In complex [{(3,5-tBu(2)pzCO)(3)-1,3,5-C6H4}Pd2Cl2(mu-Cl)(2)](4) the pyrazolyl ligand L5 acts as a bidentate donor despite the presence of the third pz group. These Pd complexes, when activated with methylaluminoxide (MAO), exhibit activity in ethylene polymerization.

  DOI：

  10.1039/b208376k
• 作为产物：
  描述：

  3,5-二叔丁基-1H-吡唑 、 间苯二甲酰氯 在 三乙胺 作用下， 以 甲苯 为溶剂， 以73%的产率得到1,3-bis(3,5-di-tert-butylpyrazolyl-1-carbonyl)benzene
  参考文献：
  名称：

  Benzenedicarbonyl and benzenetricarbonyl linker pyrazolyl complexes of palladium(ii): synthesis, X-ray structures and evaluation as ethylene polymerisation catalystsElectronic supplementary information (ESI) available: molecular structures and bond lengths and angles for L2, L3, L6 and 2. See http://www.rsc.org/suppdata/dt/b2/b208376k/

  摘要：

  A series of novel compounds with pyrazolyl rings (pz) linked by benzenedicarbonyl (L1-L4) and benzenetricarbonyl (L5, L6) have been prepared and structurally characterized. The mutual orientation of their rings was studied by molecular mechanics. These polydentate species react with PdCl2(NCMe)(2) to yield dinuclear complexes in which the Pd centers coordinate to one or two pz units, a terminal chloride and two bridging chloride ligands. In complex [{(3,5-tBu(2)pzCO)(3)-1,3,5-C6H4}Pd2Cl2(mu-Cl)(2)](4) the pyrazolyl ligand L5 acts as a bidentate donor despite the presence of the third pz group. These Pd complexes, when activated with methylaluminoxide (MAO), exhibit activity in ethylene polymerization.

  DOI：

  10.1039/b208376k

文献信息

• Catalytic composition and its preparation and use for preparing polymers from ethylenically unsaturated monomers
  申请人：Goodall Leslie Brian

  公开号：US20050043494A1

  公开（公告）日：2005-02-24

  A catalytic composition, including a cationic metal-pair complex, is disclosed, along with a method for its preparation. A method for the polymerization of ethylenically unsaturated monomers using the catalytic composition, and the addition polymers produced thereby are also disclosed.

  本发明公开了一种催化组合物，包括阳离子金属配对复合物，以及其制备方法。本发明还公开了使用该催化组合物聚合乙烯类不饱和单体的方法，以及由此产生的加成聚合物。
• A catalytic composition and its preparation and use for preparing polymers from ethylenically unsaturated monomers
  申请人：Rohm and Haas Company

  公开号：EP1508577A1

  公开（公告）日：2005-02-23

  A catalytic composition, including a cationic metal-pair complex, is disclosed, along with a method for its preparation. A method for the polymerization of ethylenically unsaturated monomers using the catalytic composition, and the addition polymers produced thereby are also disclosed.

  本发明公开了一种催化组合物（包括阳离子金属对络合物）及其制备方法。还公开了一种使用该催化组合物聚合乙烯基不饱和单体的方法，以及由此产生的加成聚合物。
• US7087687B2
  申请人：——

  公开号：US7087687B2

  公开（公告）日：2006-08-08
• Benzenedicarbonyl and benzenetricarbonyl linker pyrazolyl complexes of palladium(ii): synthesis, X-ray structures and evaluation as ethylene polymerisation catalystsElectronic supplementary information (ESI) available: molecular structures and bond lengths and angles for L2, L3, L6 and 2. See http://www.rsc.org/suppdata/dt/b2/b208376k/
  作者：Ilia A. Guzei、Kelin Li、Galina A. Bikzhanova、James Darkwa、Selwyn F. Mapolie

  DOI：10.1039/b208376k

  日期：2003.2.11

  A series of novel compounds with pyrazolyl rings (pz) linked by benzenedicarbonyl (L1-L4) and benzenetricarbonyl (L5, L6) have been prepared and structurally characterized. The mutual orientation of their rings was studied by molecular mechanics. These polydentate species react with PdCl2(NCMe)(2) to yield dinuclear complexes in which the Pd centers coordinate to one or two pz units, a terminal chloride and two bridging chloride ligands. In complex [(3,5-tBu(2)pzCO)(3)-1,3,5-C6H4}Pd2Cl2(mu-Cl)(2)](4) the pyrazolyl ligand L5 acts as a bidentate donor despite the presence of the third pz group. These Pd complexes, when activated with methylaluminoxide (MAO), exhibit activity in ethylene polymerization.