[Pd(acac)(PPh₃)₂]BF₄ | 33680-09-0

• 英文名称: [Pd(acac)(PPh₃)₂]BF₄
• CAS: 33680-09-0
• 化学式: BF₄*C₄₁H₃₇O₂P₂Pd
• 分子量: 816.916
• InChiKey: TUFFUZNHEXOCSA-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：
  None
• 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

• 作为反应物：
  描述：

  环戊二烯 、 [Pd(acac)(PPh₃)₂]BF₄ 在 三氟化硼乙醚 作用下， 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  基于阳离子钯环戊二烯基配合物的新型催化剂体系，用于降冰片烯和降冰片烯衍生物的聚合

  摘要：

  摘要 基于 [Pd(Cp)(L) n ] m [BF 4 ] m配合物的体系的催化性能研究结果（其中 Cp = η 5 -C 5 H 5；n = 2，m = 1：L =三(邻甲氧基苯基)膦、三苯基膦、三(2-呋喃基)膦(TFP) n = 1，m = 1：L = 1,1'-双(二苯基膦)二茂铁，1,3-双(二苯基膦)；丙烷、1,4-双(二苯基膦)丁烷、1,5-双(二苯基膦)戊烷；n = 1，m = 2或3：L = 1,6-双(二苯基膦)己烷)加成均和降冰片烯(NB)和NB衍生物的共聚已被描述。已经发现这些配合物可以用路易斯酸（BF 3 ⋅OEt 2或AlCl 3）活化。 [Pd(Cp)(PPh 3 ) 2 ][BF 4 ]/BF 3 ⋅OEt 2催化剂体系在NB聚合中的产率可达到188 800 mol NB \({\text{mol}}_{{{\文本{Pd}}}}^{{ - 1}}\)。 BF

  DOI：

  10.1134/s0023158424010087
• 作为产物：
  描述：

  三苯基膦 以 正己烷 、 二氯甲烷 、 苯 为溶剂， 反应 26.0h， 生成 [Pd(acac)(PPh₃)₂]BF₄
  参考文献：
  名称：

  [Pd(acac)(PR3)(PhCN)][BF4] 和 [Pd(acac)(S)2][BF4]（R = 苯基，2-甲氧基苯基；S = 苄腈，吡啶）：合成、表征、反应性和催化行为。Pd(κ2-O,O'-acac)(κ1-C-acac)(P(2-MeOC6H4)3)的晶体结构

  摘要：

  摘要 Pd(II)配合物 [Pd(acac)(PR3)(PhCN)][BF4] 和 [Pd(acac)(S)2][BF4]（acac = 乙酰丙酮化物；R = 苯基，2-甲氧基苯基；S =苯甲腈、吡啶、CD3CN)是通过Pd(acac)2或Pd(acac)2·PR3与2当量的反应合成的。BF3·OEt2 在合适的配体 (S) 存在下。通过NMR和FTIR光谱分析了配合物的结构特征。计算的 FTIR 光谱与相应的实验数据一致，提出了 κ1-腈配体的 ν(CN) 与 DFT 计算的配合物几何特征之间的相关性。配合物 Pd (κ2-O,O'-acac)(κ1-C-acac)(TOMPP)（TOMPP = 三（邻甲氧基苯基）膦）通过 X 射线衍射表征。XRD、1H 和 31P NMR 分析与 Pd(κ2-O, O'-acac)(κ1-C-acac)(TOMPP) 在 CDCl3 中，其在配位 TOMPP

  DOI：

  10.1016/j.molstruc.2020.128425
• 作为试剂：
  描述：

  苯乙烯 在 [Pd(acac)(PPh₃)₂]BF₄ 、 三氟化硼乙醚 作用下， 反应 6.0h， 生成 (E)-1,3-diphenyl-1-butene
  参考文献：
  名称：

  Selective dimerization of styrene to 1,3-diphenylbutene-1 in the presence of [(acac)Pd(PAr3)2]BF4/BF3OEt2 catalytic systems

  摘要：

  Selective dimerization of styrene to 1,3-diphenylbutene-1 in the presence of [(acac)Pd(PAr3)(2)]BF4 + BF3OEt2 catalytic systems, where R = C6H5, o-CH3C6H4, p-CH3C6H4, or o-CH3OC6H4, has been studied. Under the optimal conditions (B/Pd = 8, T = 75 C, R = C6H5), the conversion of styrene to the products exceeds the conversion for the known analogs and reaches 1.5 tons of styrene/g-atom of palladium with amounts of dimers and trimers of 91 and 9%, respectively. The dimers consist of up to 100% 1,3-diphenylbutene-1 with a trans/cis isomer ratio of 95/5.

  DOI：

  10.1134/s0965544111030157

文献信息

• An effective route for the synthesis of cationic palladium complexes of general formula [(Acac)PdL1L2]+A−
  作者：Vitalii S. Tkach、Dmitrii S. Suslov、Gomboo Myagmarsuren、Gennadii V. Ratovskii、Alexander V. Rohin、Tuczek Felix、Fedor K. Shmidt

  DOI：10.1016/j.jorganchem.2007.12.019

  日期：2008.6

  A series of palladium complexes of general formula [(Acac)PdL1L2]+A−, where L1, L2 = phosphines and A = BF4, CF3SO3, were synthesized. Preliminary studies show that the complexes are active in selective dimerization of styrene and addition polymerization of norbornene.

  一系列通式钯络合物的[（ACAC）PDL 1大号2 ] +甲- ，其中L 1，L 2  =膦和A = BF 4，CF 3 SO 3，合成。初步研究表明，该配合物在苯乙烯的选择性二聚和降冰片烯的加成聚合中具有活性。
• Cationic acetylacetonate palladium complexes/boron trifluoride etherate catalyst systems for hydroamination of vinylarenes using arylamines
  作者：D.S. Suslov、M.V. Bykov、M.V. Pakhomova、P.A. Abramov、I.A. Ushakov、V.S. Tkach

  DOI：10.1016/j.catcom.2017.02.004

  日期：2017.5

  A simple and solvent-free protocol using cationic acetylacetonate palladium complexes with mono-/bidentate phosphine ligands activated with BF3·OEt2 as in situ-formed catalyst for hydroamination of vinylarenes with arylamines have been developed. Excellent catalytic activities were obtained using [Pd(acac)(PPh3)2][BF4]/BF3·OEt2/i-PrOH catalyst system with the addition of a small amount of palladium

  已经开发出一种简单且无溶剂的方案，该方案使用阳离子乙酰丙酮钯钯配合物与被BF 3 ·OEt 2活化的单/双膦膦配体作为原位形成的催化剂将乙烯基芳烃与芳胺进行胺化。使用[Pd（acac）（PPh 3）2 ] [BF 4 ] / BF 3 ·OEt 2 / i -PrOH催化剂体系，并向其中添加少量钯（0.2–0.05 mol％），可获得出色的催化活性。反应混合物。此外，已经制备并表征了新颖的未预料到的二膦桥接的钯配合物：[Pd（acac）（dpppt）] 2 [BF4 ] 2和[Pd（acac）（dpph）] 2 [BF 4 ] 2（dpppt – 1,5-双（二苯基膦基）戊烷，dpph – 1,6-双（二苯基膦基）己烷）
• Palladium(II)–acetylacetonate complexes containing phosphine and diphosphine ligands and their catalytic activities in telomerization of 1,3-dienes with diethylamine
  作者：Dmitry S. Suslov、Mikhail V. Bykov、Marina V. Belova、Pavel A. Abramov、Vitaly S. Tkach

  DOI：10.1016/j.jorganchem.2013.11.017

  日期：2014.2

  A series of novel [Pd(acac-O,O')((PP)-P-boolean AND)] BF4 and known complexes [Pd(acac-O,O')(PR3)(2)]BF4 ((PP)-P-boolean AND = dppm (1), dppp (2), dppb (3), dppf (4); R = Ph (5), p-Tol (6), i-Pr (7); acac = 2,4-pentanedionato) were prepared by the reaction of [Pd(acac-O,O')(MeCN)(2)]BF4 (1) with appropriate ligands. Complex 2 was characterized by single-crystal X-ray analysis. Models of the structure and IR wavenumbers assignments of the cations of 1-4 were obtained by DFT calculations. Synthesized complexes were tested as catalysts in the telomerization of isoprene and butadiene with diethylamine. In the case of telomerization of butadiene with diethylamine high catalyst activity (e. g. TOFav = 1940 h(-1) and TON up to 17,480 for complex 5) was obtained. (C) 2013 Elsevier B. V. All rights reserved.
• Selective dimerization of styrene in the presence of catalysts of the type [(Acac)Pd(PR3)2]BF4 + nBF3·OEt2
  作者：V. S. Tkach、D. S. Suslov、A. V. Rokhin、F. K. Shmidt

  DOI：10.1134/s107036320704024x

  日期：2007.4
• ——
  作者：A. V. Bobkova、S. N. Zelinskii、G. V. Ratovskii、V. S. Tkach、F. K. Shmidt

  DOI：10.1023/a:1010405132055

  日期：——

  The interaction between the components of a catalytic system Pd(acac)(C-3-acac)PPh3 + nPPh(3) + mBF(3)OEt(2) (where it = 1-4, in = 0.25-4, and acac is the acetylacetonate ligand) in benzene is examined by UV and IR spectroscopy. With a relative excess of PPh3 (n > m), acacH and [Pd(acac)(PPh3)(2)]+BF4- were the main products, whereas BF(2)acec and a polynuclear complex of PdF2 with PPh3 also containing Pd2+(BF4-)(2) units were formed with a relative excess of BF3OEt2 (n < m).