1-CH2P(4-OCH3C6H4)2-4-CH2P(3-CF3C6H4)2-C6H4 | 850894-42-7

• 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-CH2P(4-OCH3C6H4)2-4-CH2P(3-CF3C6H4)2-C6H4
• 英文别名: [2-[Bis(4-methoxyphenyl)phosphanylmethyl]phenyl]methyl-bis[3-(trifluoromethyl)phenyl]phosphane；[2-[bis(4-methoxyphenyl)phosphanylmethyl]phenyl]methyl-bis[3-(trifluoromethyl)phenyl]phosphane
• CAS: 850894-42-7
• 化学式: C₃₆H₃₀F₆O₂P₂
• 分子量: 670.571
• InChiKey: LFSKTXBDIXIAPK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.9
• 重原子数：
  46
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1-CH2P(4-OCH3C6H4)2-4-CH2P(3-CF3C6H4)2-C6H4 以 氘代氯仿 、 二氯甲烷 为溶剂， 生成 [PdCl(COMe)(1-CH2P(4-OCH3C6H4)2-4-CH2P(3-CF3C6H4)2-C6H4)]
  参考文献：
  名称：

  Carbonylation studies of Pd-methyl complexes modified with 1,4-Cs-symmetrical diphosphine ligands

  摘要：

  Neutral palladium methyl chloride 2a-d [PdCH3((PP)-P-boolean AND')Cl] and cationic palladium methyl acetonitrile mono-triflate 3a-d [PdCH3((PP)-P-boolean AND')(CH3CN)](CF3SO3).complexes were synthesized and fully characterized ((PP)-P-boolean AND' = 1a-d). All the neutral and cationic complexes containing a C-s-symmetric diphosphine exist in solution as a mixture of geometric isomers. The carbonylation at atmospheric pressure of the neutral and cationic complexes revealed that migratory insertion of carbon monoxide is not stereospecific in these systems. The neutral and cationic acyl complexes were formed in situ as mixtures of stereoisomers, which were characterized by means of NMR spectroscopy.The crystal structures of [Pd(1a)Cl](2)(OTf)(2) and 2d are described. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2006.06.038
• 作为产物：
  描述：

  邻苯二甲醇 在 六甲基磷酰三胺 、 正丁基锂 、 氯化亚砜 作用下， 以 四氢呋喃 、 四氯化碳 、 正己烷 为溶剂， 反应 7.0h， 生成 1-CH2P(4-OCH3C6H4)2-4-CH2P(3-CF3C6H4)2-C6H4
  参考文献：
  名称：

  新ç小号-对称1,4-二膦配体在丙烯和一氧化碳的共聚：高区域选择性和立体控制的催化性能

  摘要：

  新Ç小号-对称芳1,4-二膦配体的合成和在一氧化碳和丙烯的共聚合进行试验。两种不同的P原子的电子特性不会影响催化剂前体的高对映选择性，因此会产生高“区域”和“立体规则”共聚物。

  DOI：

  10.1002/hlca.200590002

文献信息

• NovelCs-Symmetric 1,4-Diphosphine Ligands in the Copolymerization of Propene and Carbon Monoxide: High Regio- and Stereocontrol in the Catalytic Performance
  作者：Antonella Leone、Giambattista Consiglio

  DOI：10.1002/hlca.200590002

  日期：2005.2

  New Cs-symmetric aryl 1,4-diphosphine ligands were synthesized and tested in the copolymerization of carbon monoxide and propene. The electronic properties of the two different P-atoms did not affect the high enantioselectivity of the catalyst precursors, thus resulting in high ‘regio’- and ‘stereoregular’ copolymers.

  新Ç小号-对称芳1,4-二膦配体的合成和在一氧化碳和丙烯的共聚合进行试验。两种不同的P原子的电子特性不会影响催化剂前体的高对映选择性，因此会产生高“区域”和“立体规则”共聚物。
• Carbonylation studies of Pd-methyl complexes modified with 1,4-Cs-symmetrical diphosphine ligands
  作者：Antonella Leone、Sebastian Gischig、Giambattista Consiglio

  DOI：10.1016/j.jorganchem.2006.06.038

  日期：2006.11

  Neutral palladium methyl chloride 2a-d [PdCH3((PP)-P-boolean AND')Cl] and cationic palladium methyl acetonitrile mono-triflate 3a-d [PdCH3((PP)-P-boolean AND')(CH3CN)](CF3SO3).complexes were synthesized and fully characterized ((PP)-P-boolean AND' = 1a-d). All the neutral and cationic complexes containing a C-s-symmetric diphosphine exist in solution as a mixture of geometric isomers. The carbonylation at atmospheric pressure of the neutral and cationic complexes revealed that migratory insertion of carbon monoxide is not stereospecific in these systems. The neutral and cationic acyl complexes were formed in situ as mixtures of stereoisomers, which were characterized by means of NMR spectroscopy.The crystal structures of [Pd(1a)Cl](2)(OTf)(2) and 2d are described. (c) 2006 Elsevier B.V. All rights reserved.