3-(diphenylphosphanyl)-2,2-bis(pyrazol-1-ylmethyl)propyl allyl ether | 960408-71-3

• 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: 3-(diphenylphosphanyl)-2,2-bis(pyrazol-1-ylmethyl)propyl allyl ether
• 英文别名: Diphenyl-[2-(prop-2-enoxymethyl)-3-pyrazol-1-yl-2-(pyrazol-1-ylmethyl)propyl]phosphane；diphenyl-[2-(prop-2-enoxymethyl)-3-pyrazol-1-yl-2-(pyrazol-1-ylmethyl)propyl]phosphane
• CAS: 960408-71-3
• 化学式: C₂₆H₂₉N₄OP
• 分子量: 444.516
• InChiKey: INACSMRZKROSMO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  32
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  44.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(diphenylphosphanyl)-2,2-bis(pyrazol-1-ylmethyl)propyl allyl ether 、 [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ 、 二氯甲烷 以 甲苯 为溶剂， 以89%的产率得到[(η6-p-cymene)RuCl2(κ1-P-3-(diphenylphosphanyl)-2,2-bis(pyrazol-1-yl-methyl) propyl allyl ether)]*0.5CH2Cl2
  参考文献：
  名称：

  Synthesis and structural characterization of ruthenium(II) complexes bearing phosphine-pyrazolyl based tripod ligands

  摘要：

  Phosphine-pyrazolyl based tripod ligands ROCH2C(CH(2)Pz)(2)(CH2PPh2) ( R = H, Me, allyl; Pz = pyrazol-1-yl) were e. ciently synthesized and characterized. Reactions of these ligands with [Ru(eta(6)-p-cymene)Cl-2](2) afforded complexes of the type [Ru(eta(6)-p-cymene) Cl-2](L) (6-8) in which the ligands exhibit kappa(1)-P-coordination to the metal center. Complex [Ru(eta(6)-p-cymene)Cl-2{Ph2PCH2C( CH2OH)(CH(2)Pz)(2)}] (6) underwent chloride-dissociation in CH2Cl2/MeCN to give complex [RuCl(eta(6)-p-cymene){kappa(2)(P,N)-Ph2PCH2C( CH2OH)(CH(2)Pz)(2)}][Cl] (9). Complexes 6-9 demonstrated poor to moderate catalytic activity in the transfer hydrogenation of acetophenone. All these complexes were fully characterized by analytical and spectroscopic methods and their molecular structures were determined by X-ray crystallographic study. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2007.08.025
• 作为产物：
  描述：

  3-溴丙烯 、 3-(diphenylphosphanyl)-2,2-bis(pyrazol-1-ylmethyl)propan-1-ol 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 以95%的产率得到3-(diphenylphosphanyl)-2,2-bis(pyrazol-1-ylmethyl)propyl allyl ether
  参考文献：
  名称：

  Synthesis and structural characterization of ruthenium(II) complexes bearing phosphine-pyrazolyl based tripod ligands

  摘要：

  Phosphine-pyrazolyl based tripod ligands ROCH2C(CH(2)Pz)(2)(CH2PPh2) ( R = H, Me, allyl; Pz = pyrazol-1-yl) were e. ciently synthesized and characterized. Reactions of these ligands with [Ru(eta(6)-p-cymene)Cl-2](2) afforded complexes of the type [Ru(eta(6)-p-cymene) Cl-2](L) (6-8) in which the ligands exhibit kappa(1)-P-coordination to the metal center. Complex [Ru(eta(6)-p-cymene)Cl-2{Ph2PCH2C( CH2OH)(CH(2)Pz)(2)}] (6) underwent chloride-dissociation in CH2Cl2/MeCN to give complex [RuCl(eta(6)-p-cymene){kappa(2)(P,N)-Ph2PCH2C( CH2OH)(CH(2)Pz)(2)}][Cl] (9). Complexes 6-9 demonstrated poor to moderate catalytic activity in the transfer hydrogenation of acetophenone. All these complexes were fully characterized by analytical and spectroscopic methods and their molecular structures were determined by X-ray crystallographic study. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2007.08.025