trans-bis(trifluoroacetato)bis(tricyclohexylphosphine)palladium(II) | 851368-21-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 磺酰类
• 英文名称: trans-bis(trifluoroacetato)bis(tricyclohexylphosphine)palladium(II)
• CAS: 851368-21-3
• 化学式: C₄₀H₆₆F₆O₄P₂Pd
• 分子量: 893.32
• InChiKey: KXWDPQSFVQCINS-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  14.04
• 重原子数：
  53.0
• 可旋转键数：
  10.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  52.6
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  trans-bis(trifluoroacetato)bis(tricyclohexylphosphine)palladium(II) 、 N,N-二甲基苯铵四(五氟苯基)硼酸盐 以 not given 为溶剂， 以0%的产率得到(κ2-O,O'-trifluoroacetato)bis(tricyclohexylphosphine)palladium(II) tetrakis(pentafluorophenyl)borate
  参考文献：
  名称：

  带有路易斯碱的阳离子钯（II）膦羧酸盐配合物的反应性研究：取代与环金属化

  摘要：

  Two classes of cationic palladium(II) phosphine carboxylate complexes were isolated and characterized. Reactions of trans-[(R3P)(2)Pd(O2CR')(2)] (1) with [Li(OEt2)(2.5)][B(C6F5)(4)] in MeCN led to carboxylate abstraction and formation of trans-[(R3P)(2)Pd(O2CR')(MeCN)][B(C6F5)(4)] (2) in good to excellent yields. On the other hand, carboxylate abstraction reactions of 1 with [Me-2(H)NPh][B(C6F5)(4)] or p-toluenesulfonic acid (HOTs center dot H2O) in CH2Cl2 furnished the palladium cations [(R3P)(2)Pd(kappa(2)-O,O-O2CR')](+) (3). The reactions of 2 and 3 with Lewis bases were found to be different in some cases. For example, reactions of 2 with pyridine furnished the simple products of acetonitrile substitution, trans-[(R3P)(2)Pd(O2CR')(py)][B(C6F5)(4)]. In contrast, the reaction of 3e (R = Pr-i, R' = CH3) with CD3CN in the presence of excess sodium carbonate yielded a material derived from cyclometalation of one of the Pr-i arms of a (Pr3P)-Pr-i ligand. New complexes were characterized by elemental analyses and NMR (H-1, C-13, and P-31) spectroscopic methods and in two cases by single-crystal X-ray structural methods.

  DOI：

  10.1021/om070069g
• 作为产物：
  描述：

  palladium(II) trifluoroacetate 、 三环己基膦 以 二氯甲烷 为溶剂， 以67%的产率得到trans-bis(trifluoroacetato)bis(tricyclohexylphosphine)palladium(II)
  参考文献：
  名称：

  带有路易斯碱的阳离子钯（II）膦羧酸盐配合物的反应性研究：取代与环金属化

  摘要：

  Two classes of cationic palladium(II) phosphine carboxylate complexes were isolated and characterized. Reactions of trans-[(R3P)(2)Pd(O2CR')(2)] (1) with [Li(OEt2)(2.5)][B(C6F5)(4)] in MeCN led to carboxylate abstraction and formation of trans-[(R3P)(2)Pd(O2CR')(MeCN)][B(C6F5)(4)] (2) in good to excellent yields. On the other hand, carboxylate abstraction reactions of 1 with [Me-2(H)NPh][B(C6F5)(4)] or p-toluenesulfonic acid (HOTs center dot H2O) in CH2Cl2 furnished the palladium cations [(R3P)(2)Pd(kappa(2)-O,O-O2CR')](+) (3). The reactions of 2 and 3 with Lewis bases were found to be different in some cases. For example, reactions of 2 with pyridine furnished the simple products of acetonitrile substitution, trans-[(R3P)(2)Pd(O2CR')(py)][B(C6F5)(4)]. In contrast, the reaction of 3e (R = Pr-i, R' = CH3) with CD3CN in the presence of excess sodium carbonate yielded a material derived from cyclometalation of one of the Pr-i arms of a (Pr3P)-Pr-i ligand. New complexes were characterized by elemental analyses and NMR (H-1, C-13, and P-31) spectroscopic methods and in two cases by single-crystal X-ray structural methods.

  DOI：

  10.1021/om070069g

文献信息

• Single component cationic palladium proinitiators for the latent polymerization of cycloolefins
  申请人：Bell Andrew

  公开号：US20050187398A1

  公开（公告）日：2005-08-25

  Palladium compound compositions are provided in accordance with Formulae [((R) 3 E) a Pd(Q)(LB) b ] p [WCA] r , where ((R) 3 E) is a Group 15 electron donor ligand, Q is an anionic ligand, LB is a Lewis base, WCA is a weakly coordinating anion, a is 1, 2 or 3, b is 0, 1 or 2, the sum of a and b is 1, 2 or 3 and each of p and r is an integer such that the molecular charge is zero, or [(E(R) 3 )(E(R) 2 R*)Pd(LB)] p [WCA] r where E(R) 2 R* represents a Group 15 neutral electron donor ligand and where R* is an anionic hydrocarbyl containing moiety, bonded to the Pd and having a β hydrogen with respect to the Pd center. Such compound composition exhibits latent polymerization activity in the presence of polycyclic olefins.

  钯化合物组成按照以下公式提供：[((R)3E)aPd(Q)(LB)b]p[WCA]r，其中((R)3E)是第15族电子供体配体，Q是阴离子配体，LB是路易斯碱，WCA是弱配位阴离子，a为1、2或3，b为0、1或2，a和b的总和为1、2或3，p和r各自为整数，使得分子电荷为零，或[(E(R)3)(E(R)2R*)Pd(LB)]p[WCA]r，其中E(R)2R*代表第15族中性电子供体配体，R*是与Pd键合的含有阴离子烃基的部分，并且相对于Pd中心具有β氢。这种化合物组成在多环烯烃存在时表现出潜在的聚合活性。