[(η3-allyl)Pd(PMe3)2][PF6] | 337379-52-9

• 英文名称: [(η3-allyl)Pd(PMe3)2][PF6]
• CAS: 337379-52-9
• 化学式: C₉H₂₃P₂Pd*F₆P
• 分子量: 444.613
• InChiKey: CZIYNWJYOKAERT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
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• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  thallium(I) hexafluorophosphate 、 (η3-allyl)Pd(PMe3)Cl 以 二氯甲烷 为溶剂， 以30%的产率得到[(η3-allyl)Pd(PMe3)2][PF6]
  参考文献：
  名称：

  双核[{（π-C 3 H ^ 5）M（PR 3）} 2（μ-X）]镍和钯Y的配合物†

  摘要：

  双卤化物桥连的π烯丙基络合物{（η 3 -C 3 H ^ 5）M（μ-X）} 2（M =镍，钯; X =氯，溴）的弱配位阴离子的盐铊卤化物抗蚀抽象在非配位CH 2 Cl 2中，Y ＝ PF 6，B（C 6 F 5）4和B {C 6 H 3（CF 3）2 } 4。在大体积的膦的存在下（P我镨3，P吨卜3），或者当2当量的（η 3 -C 3ħ 5）M（PR 3）X与TLY，卤化物离子中的一个被替换，以得到离子的双核反应，单卤化物桥连的络合物[{（η 3 -C 3 H ^ 5）M（PR 3）} 2（μ-X）] Y（M =镍，X = Br的（6，7）; M =钯，X =氯（8，9）和Br（10，11）），其不与进一步TLY反应。Y = Al {OC（CF 3）3 } 4的相应配合物也已经准备好了。另外，已经发现，对于Y ＝ OTf，双核钯络合物而不是镍衍生物也是稳定的。根据NMR，该络合物代表溶液中非对映异构体的混合物。对于[{（η

  DOI：

  10.1021/om050020f

文献信息

• Synthesis of β-P,N Aminophosphines and Coordination Chemistry to Pd^II. X-ray Structures of [PdCl₂(Ph₂PCH₂CH(Ph)NHPh-κ<i>P</i>,κ<i>N</i>)] and [PdCl(η³-C₃H₅)(Ph₂PCH₂CH(Ph)NHPh-κ<i>P</i>)]
  作者：Jacques Andrieu、Jean-Michel Camus、Jochen Dietz、Philippe Richard、Rinaldo Poli

  DOI：10.1021/ic000867y

  日期：2001.3.1

  The reaction of the C=N bond in PhCH=NPh with the carbanionic species Ph2PCH2-, leading to the N-phenyl beta -aminsphosphine Ph2PCH2CH(Ph)NHPh, L-1, is described. This molecule reacts with different organic electrophiles to afford related compounds Ph2PCH2CH(Ph)NPhX (X = SiMe3, L-2; COPh, L-4), [Ph2MePCH2CH(Ph)NHPh](+)(I-), L-3, and [Ph2PCH2CH(Ph)N(Ph)CO](2), L-5, containing two amido and two phosphino functions. The coordination properties of L-1, L-2, and L-4 have been studied in palladium chemistry. The X-ray structure of [PdCl2(Ph2PCH2-CH(Ph)NHPh-kappaP,kappaN)I shows the bidentate coordination mode for the L-1 Ligand with equatorial C-Ph-N-Ph phenyl groups. [PdCl2(Ph2PCH2CH(Ph)NHPh-kappaP,kappaN)] crystallizes at 298 K in the space group P2(1)/n with cell parameters a = 10.689(2) Angstrom, b = 21.345(3) Angstrom, c = 12.282(2) Angstrom, beta = 90.294(1.2)degrees Z = 4, D-calcd = 1.526. The reaction between 2 equiv of L-1 and [PdCl(eta (3)-C3H5)](2) affords the [PdCl(eta (3)-C3H5)(Ph2PCH2CH(Ph)NHPh-kappaP)] complex in which an unexpected N-H . . . Cl intramolecular interaction has been observed by an X-ray diffraction analysis. [PdCl(eta (3)-C3H5)(Ph2PCH2CH(Ph)NHPh-kappaP)] crystallizes at 298 K in the monoclinic space group Cc with cell parameters a = 10.912(1) Angstrom, b = 17.194(2) Angstrom, c = 14.169(2) Angstrom, beta = 100.651(9)degrees Z = 4, D-calcd = 1.435. Neutral and cationic alkyl or allyl palladium chloride complexes containing L-1 are also reported as well as a neutral allyl palladium chloride complex containing L-4. Variable-temperature P-31H-1} NMR studies on the allyl complexes show that the eta (3)/eta (1) allyl interconversion is enhanced by a positive charge and also by a N-H . . . Cl intramolecular interaction.