C6H4-1-(CH2P(i-Pr)2)-3-(CH2PPh2) | 745822-89-3

• 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: C6H4-1-(CH2P(i-Pr)2)-3-(CH2PPh2)
• 英文别名: [3-(Diphenylphosphanylmethyl)phenyl]methyl-di(propan-2-yl)phosphane
• CAS: 745822-89-3
• 化学式: C₂₆H₃₂P₂
• 分子量: 406.488
• InChiKey: BUDAYNFTJQWGEJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  28
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  dichloro(cycloocta-1,5-diene)palladium (II) 、 C6H4-1-(CH2P(i-Pr)2)-3-(CH2PPh2) 以 甲苯 为溶剂， 以70%的产率得到[PdCl(C6H3-2-(CH2PPh2)-6-(CH2P(i-Pr)2))]
  参考文献：
  名称：

  Synthesis of a new class of unsymmetrical PCP′ pincer ligands and their palladium (II) complexes: X-ray structure determination of PdCl{C6H3-2-CH2PPh2-6-CH2PBut2}

  摘要：

  The unsymmetrical PCPt pincer ligands {C6H4-l-CH2PPh2-3-CH2PBu2t} and {C6H4-l-CH2PPh2-3-CH2PPr2i} and the corresponding palladium complexes: PdCl{C6H3-2-CH2PPh2-6-CH2PBu2t} and PdCl{CH3-2-CH2PPh2-6-CHPPr2i} have been synthesized in good yields. The molecular structure of PdCl{C6H3-2-CH2PPh2-6-CH2Bu2t} was determined through a single crystal X-ray diffraction study. The palladium center was found to be located into a slightly distorted square planar environment in which the {C6H4-1-CH2Ph2-3-CH2Bu2t} ligand is coordinated as a tridentate, PCP pincer type chelate. The complex, PdCl{C6H3-2CH(2)PPh(2)-6-CH2PPr2i} catalyzes the Heck coupling of iodobenzene with styrene. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2004.05.009
• 作为产物：
  描述：

  1,3-苯二甲醇 在 盐酸 、 四氟硼酸-二乙醚络合物 、 正丁基锂 、 氯化亚砜 、 dimethyl sulfide borane 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 为溶剂， 反应 11.0h， 生成 C6H4-1-(CH2P(i-Pr)2)-3-(CH2PPh2)
  参考文献：
  名称：

  Synthesis of a new class of unsymmetrical PCP′ pincer ligands and their palladium (II) complexes: X-ray structure determination of PdCl{C6H3-2-CH2PPh2-6-CH2PBut2}

  摘要：

  The unsymmetrical PCPt pincer ligands {C6H4-l-CH2PPh2-3-CH2PBu2t} and {C6H4-l-CH2PPh2-3-CH2PPr2i} and the corresponding palladium complexes: PdCl{C6H3-2-CH2PPh2-6-CH2PBu2t} and PdCl{CH3-2-CH2PPh2-6-CHPPr2i} have been synthesized in good yields. The molecular structure of PdCl{C6H3-2-CH2PPh2-6-CH2Bu2t} was determined through a single crystal X-ray diffraction study. The palladium center was found to be located into a slightly distorted square planar environment in which the {C6H4-1-CH2Ph2-3-CH2Bu2t} ligand is coordinated as a tridentate, PCP pincer type chelate. The complex, PdCl{C6H3-2CH(2)PPh(2)-6-CH2PPr2i} catalyzes the Heck coupling of iodobenzene with styrene. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2004.05.009

文献信息

• Synthesis of a new class of unsymmetrical PCP′ pincer ligands and their palladium (II) complexes: X-ray structure determination of PdCl{C6H3-2-CH2PPh2-6-CH2PBut2}
  作者：Ali Naghipour、Seyyed Javad Sabounchei、David Morales-Morales、Simón Hernández-Ortega、Craig M. Jensen

  DOI：10.1016/j.jorganchem.2004.05.009

  日期：2004.8

  The unsymmetrical PCPt pincer ligands C6H4-l-CH2PPh2-3-CH2PBu2t} and C6H4-l-CH2PPh2-3-CH2PPr2i} and the corresponding palladium complexes: PdClC6H3-2-CH2PPh2-6-CH2PBu2t} and PdClCH3-2-CH2PPh2-6-CHPPr2i} have been synthesized in good yields. The molecular structure of PdClC6H3-2-CH2PPh2-6-CH2Bu2t} was determined through a single crystal X-ray diffraction study. The palladium center was found to be located into a slightly distorted square planar environment in which the C6H4-1-CH2Ph2-3-CH2Bu2t} ligand is coordinated as a tridentate, PCP pincer type chelate. The complex, PdClC6H3-2CH(2)PPh(2)-6-CH2PPr2i} catalyzes the Heck coupling of iodobenzene with styrene. (C) 2004 Elsevier B.V. All rights reserved.