1,3-bis(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-ol | 76158-45-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,3-bis(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-ol
• 英文别名: 1,3-bis(3,5-dimethylpyrazol-1-yl)propan-2-ol；Hbdbpzp；bdmpp-H；1,3-Bis(3,5-dimethylpyrazol-1-yl)-2-propanol
• CAS: 76158-45-7
• 化学式: C₁₃H₂₀N₄O
• 分子量: 248.328
• InChiKey: ZTZMAADDAYABDT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  55.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,3-bis(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-ol 、 四氯化钛 以 乙醚 为溶剂， 以75%的产率得到[TiCl4(κ2-N,O-Hbdmpzp)]
  参考文献：
  名称：

  High-Temperature Single-Site Ethylene Polymerization Behavior of Titanate Complexes Supported by 1,3-Bis(3,5-dialkylpyrazol-1-yl)propan-2-olate Ligation

  摘要：

  Titanate(1-) complexes Na[(THF)(kappa(1)-O-bdbpzp)TiCl4] (1) and Na[(THF)(kappa(1)-O-bdmpzp)TiCl4] (2) and titanate(2-) complexes [Na(THF)](2)[(K-1-O-bdbpzp)(2)TiCl4] (4) and [Na(THF)](2)[(kappa(1)-O-bdMPZP)(2)TiCl4] (5) were obtained in good yield from reaction of Na[bdbpzp] or Na[bdmpzp] (sodium salt of 1,3-bis(3,5-di-te -butylpyrazol-lyl)propan-2-ol or 1,3-bis(3,5-dimethylpyrazol-1yl)propan-2-ol) with TiCl4 (in the appropriate molar ratio) at 0-25 degrees C. Protonolysis of TiCl4 with 1 equiv of bdmpzpH furnished related zwitterionic titanate(1-) complex 3 that possessed a kappa(2)-N,O-coordinated pyrazolyi-alkoxide with pendant pyrazolium group. Methylalurnoxane (MAO) activation of 1-5 under high-temperature solution polymerization conditions produced active single-site ethylene polymerization catalysts that exhibit considerably higher thermal stability (especially 2/MAO, 3/MAO, and 5/MAO) than previously reported for CP2TiCl2/MAO or Ti catalysts supported by related heteroscorpionate or scorpionate ligation.

  DOI：

  10.1021/ic701221f
• 作为产物：
  描述：

  3,5-二甲基吡唑 、 3,5-dimethyl-1-(oxiranylmethyl)-1H-pyrazole 以24%的产率得到
  参考文献：
  名称：

  DARBINYAN EH. G.; MATSOYAN M. S.; IOEL D.; SAAKYAN A. A., AJKAKAN KIMIAKAN AMSAGIR, ARM. XIM. ZH., 1980, 33, HO 7, 584-588

  摘要：

  DOI：

文献信息

• Synthesis, magnetic behaviour, and X-ray structures of dinuclear copper complexes with multiple bridges. Efficient and selective catalysts for polymerization of 2,6-dimethylphenol
  作者：Ramaswamy Murugavel、Ramasamy Pothiraja、Nayanmoni Gogoi、Rodolphe Clérac、Lollita Lecren、Ray J. Butcher、Munirathinam Nethaji

  DOI：10.1039/b618559b

  日期：——

  properties has been investigated. The reaction of copper hydroxide or copper acetate with phenyl phosphinic acid or diphenyl phosphinic acid in the presence of bdmpp-H produces the dinuclear complexes [Cu(bdmpp)(ppi)]2 (1) and [Cu(bdmpp)(dppi-H)]2(dppi)2 (2) (ppi-H = phenylphosphinic acid; dppi-H = diphenylphosphinic acid), respectively. The products have been characterized with the help of analytical, thermal

  使用潜在的三齿单阴离子桥联 配体1,3-双（3,5-二甲基吡唑-1-基）丙-2-醇（bdmpp-H）在组装具有令人感兴趣的磁性的新的二聚铜配合物时，已经进行了研究。的反应氢氧化铜 或者 醋酸铜 和 苯基次膦酸 或者 二苯基次膦酸在bdmpp-H存在下产生双核络合物[Cu（bdmpp）（ppi）] 2（1）和[Cu（bdmpp）（dppi-H）] 2（dppi）2（2）（ppi-H =苯次膦酸; dppi-H =二苯基次膦酸）， 分别。通过分析，热学和光谱学对产品进行表征（红外， 紫外线可见， 和 电子病历）技术。 单晶X射线衍射对1和2的研究表明，这两个bdmpp配体 通过µ-O醇盐和吡唑基将每个络合物中的二聚铜单元结合在一起 氮结扎中心。二次膦酸苯酯 配体另外，将双铜芯桥连成1，以在每个金属离子周围形成八面体配位几何形状。这二苯基次膦酸 充当终端 配体在图2中，并且因此在每个铜离子周围形
• Precatalysts useful in polyolefin polymerization reactions
  申请人：Ladipo Omofolami Tesileem

  公开号：US20080207853A1

  公开（公告）日：2008-08-28

  Compounds are provided that are useful as precatlysts in the polymerization of olefins such as ethylene and propylene. Other compounds are useful as intermediates in the production of such precatalysts.

  提供了一些化合物，可用作聚合乙烯和丙烯等烯烃的前催化剂。其他化合物可用作生产这些前催化剂的中间体。
• Synthesis and catalytic activities of copper(II) complexes derived from a tridentate pyrazole-containing ligand. X-ray crystal structure of [Cu2(μ-dpzhp-O,N,N′)2][Cu(MeOH)Cl3]2
  作者：Patrick Gamez、Jaimy von Harras、Olivier Roubeau、Willem L. Driessen、Jan Reedijk

  DOI：10.1016/s0020-1693(01)00498-4

  日期：2001.11

  is semicoordinated to one of the two copper ions. Solid-state magnetic measurements show that the dinuclear unit is strongly antiferromagnetic, and paramagnetic in its CuCl3(MeOH) anions. The compound [Cu2(μ-dpzhp-O,N,N′)2](BF4)2 is catalytically active in the oxidative coupling of 2,6-dimethylphenol and leads to a high selectivity in poly(1,4-phenylene ether) (PPE) over the unwanted side product, 4-(3

  描述了新的三齿配体1,3-双（3,5-二甲基吡唑-1-基）丙烷-2-醇（Hdpzhp）及其许多铜（II）配合物的合成。具有[Cu 2（μ-dpzhp- O，N，N '）2 ] X 2的配合物，其中X = Cu（MeOH）Cl 3，NO 3和BF 4，以及[Cu 2（μ-通过元素分析，红外光谱，配体场和ESI质谱对dpzhp- O，N，N '）（μ-OH）Cl 2 ]进行了表征，表明该配体正在成核并充当N 2O供体与桥接的烷氧基基团一起设置。[Cu 2（μ-dpzhp- O，N，N '）2 ] [Cu（MeOH）Cl 3 ] 2的单晶X射线结构显示在扭曲的方平面环境中双核阳离子中的铜离子。来自两个不同配体的两个氧和两个氮原子，Cu–N距离为1.932（7）至1.992（6）Å，Cu–O距离为1.873（6）–1.976（6）Å。另外，每个阴离子的一个氯与两个铜离子之一半配位。固态磁测量表明，双核单元在其CuCl
• Synthesis, characterization, and ethylene polymerization behavior of [(RR′-admpzp)2Ti(OPri)2] complexes (RR′-admpzp=1-dialkylamino-3-(3,5-dimethyl-pyrazol-1-yl)-propan-2-olate)
  作者：Alexey Zazybin、Sean Parkin、Folami T. Ladipo

  DOI：10.1016/j.jorganchem.2007.08.040

  日期：2007.11

  [(RR'-admpzp)(2)Ti(OPri)(2)] complexes (2a-c), synthesized from reaction of Ti(OPri)(3)Cl (0.5 equiv) with 1-dialkylamino-3-(3,5dimethyl- pyrazol-1-yl)-propan-2-ol compounds in the presence of triethylamine (0.5 equiv), are pseudo-octahedral with each RR'admpzp ligand kappa(2)-O,N(pyrazolyl) coordinated to the titanium center. In solution, 2a-c adopt isomeric structures that are in dynamic equilibrium. At 23 degrees C, 2a-c/1000 MAO catalyst systems furnished high molecular weight polymers with narrow molecular weight distributions (M-w/M-n = 2.7-2.8). At 100 degrees C, 2a-c/MAO catalyst systems exhibited increased polymerization activity and 2c/1000 MAO system furnished high molecular weight polyethylene with a molecular weight distribution (M-w/M-n = 2.1) that is close to that found for single-site catalysts. (C) 2007 Elsevier B.V. All rights reserved.
• US7851570B2
  申请人：——

  公开号：US7851570B2

  公开（公告）日：2010-12-14