1-(benzyl(tert-butyl)amino)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol | 1000045-16-8

• 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-(benzyl(tert-butyl)amino)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
• 英文别名: 1-[Benzyl(tert-butyl)amino]-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
• CAS: 1000045-16-8
• 化学式: C₁₉H₂₉N₃O
• 分子量: 315.459
• InChiKey: FFPUTJKLTFDCMN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  41.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  三异丙氧基氯化钛 、 1-(benzyl(tert-butyl)amino)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol 在 Et₃N 作用下， 以 正戊烷 为溶剂， 以74%的产率得到[(1-(benzyl-tert-butyl-amino)-3-(3,5-dimethyl-pyrazol-1-yl)-propan-2-ol(-1H))2Ti(O-i-Pr)2]
  参考文献：
  名称：

  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)

  摘要：

  [(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.

  DOI：

  10.1016/j.jorganchem.2007.08.040
• 作为产物：
  描述：

  3,5-二甲基吡唑 、 N-叔丁基苄胺 、 环氧氯丙烷 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 27.0h， 以38%的产率得到1-(benzyl(tert-butyl)amino)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
  参考文献：
  名称：

  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)

  摘要：

  [(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.

  DOI：

  10.1016/j.jorganchem.2007.08.040

文献信息

• 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。
• US7851570B2
  申请人：——

  公开号：US7851570B2

  公开（公告）日：2010-12-14