[((4,4'-di-tert-butyl-2,2'-bipyridine)Pd(Me))2(μ-Cl)][B(C6F5)4] | 524936-79-6

• 英文名称: [((4,4'-di-tert-butyl-2,2'-bipyridine)Pd(Me))2(μ-Cl)][B(C6F5)4]
• 英文别名: [[PdMe((t-Bu)2bipy)]2(μ-Cl)][B(C6F5)4]；[[PdMe(4,4'-(t-Bu)2-2,2'-bipyridine)]2(μ-Cl)][B(C6F5)4]
• CAS: 524936-79-6
• 化学式: C₂₄BF₂₀*C₃₈H₅₄ClN₄Pd₂
• 分子量: 1494.21
• InChiKey: JXRNTVROGNIHLC-UHFFFAOYSA-M

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：

  [((4,4'-di-tert-butyl-2,2'-bipyridine)Pd(Me))2(μ-Cl)][B(C6F5)4] 在 LiCl 、 Et₂O 作用下， 以 乙醚 、 二氯甲烷-D2 为溶剂， 生成 [(4,4'-di-tert-butyl-2,2'-bipyridine)Pd(CHClCH2COMe)][B(C6F5)4]
  参考文献：
  名称：

  Reaction of Vinyl Chloride with Cationic Palladium Acyl Complexes

  摘要：

  Vinyl chloride (VC) reacts with the cationic Pd complexes [L2Pd(Me)(CO)] [B(C6F5)(4)] (3a-d; L-2 = Me(2)bipy, (t)Bu(2)bipy, dppp, dmpe) and [L2Pd{C(=O)Mej(CO)] [B(C6F5)(4)] (4a-d) by 2,1-insertion of L2Pd{C=O)Me}(VC)(+) intermediates to yield the O-chelated products [L2Pd-CHClCH2C(=O)Me}[B(C6F5)(4)] (5a-d). 5a-d were characterized by NMR spectroscopy, and the molecular structures of 5a and 5b.CH2Cl2 were determined by X-ray crystallography. The VC 2,1-insertion regiochemistry is favored in part because the alternative L2Pd{CH2CHClC(=O)Me}(+) 1,2-insertion products would be destabilized by placement of the electron-withdrawing Cl and acyl substituents on the same carbon. In contrast to analogous nonhalogenated L2Pd{CHRCHR'C(=O)Me}(+) species, 5a,c do not further react with CO, due to the stability of the chelate ring and the low migratory aptitude of the -CHClCH2C(=O)Me group.

  DOI：

  10.1021/om021028h
• 作为产物：
  描述：

  4,4'-二叔丁基-2,2'-二吡啶 以 二氯甲烷 、 二氯甲烷-D2 为溶剂， 生成 [((4,4'-di-tert-butyl-2,2'-bipyridine)Pd(Me))2(μ-Cl)][B(C6F5)4]
  参考文献：
  名称：

  Reaction of Vinyl Chloride with Cationic Palladium Acyl Complexes

  摘要：

  Vinyl chloride (VC) reacts with the cationic Pd complexes [L2Pd(Me)(CO)] [B(C6F5)(4)] (3a-d; L-2 = Me(2)bipy, (t)Bu(2)bipy, dppp, dmpe) and [L2Pd{C(=O)Mej(CO)] [B(C6F5)(4)] (4a-d) by 2,1-insertion of L2Pd{C=O)Me}(VC)(+) intermediates to yield the O-chelated products [L2Pd-CHClCH2C(=O)Me}[B(C6F5)(4)] (5a-d). 5a-d were characterized by NMR spectroscopy, and the molecular structures of 5a and 5b.CH2Cl2 were determined by X-ray crystallography. The VC 2,1-insertion regiochemistry is favored in part because the alternative L2Pd{CH2CHClC(=O)Me}(+) 1,2-insertion products would be destabilized by placement of the electron-withdrawing Cl and acyl substituents on the same carbon. In contrast to analogous nonhalogenated L2Pd{CHRCHR'C(=O)Me}(+) species, 5a,c do not further react with CO, due to the stability of the chelate ring and the low migratory aptitude of the -CHClCH2C(=O)Me group.

  DOI：

  10.1021/om021028h

文献信息

• Acrylonitrile Insertion Reactions of Cationic Palladium Alkyl Complexes
  作者：Fan Wu、Stephen R. Foley、Christopher T. Burns、Richard F. Jordan

  DOI：10.1021/ja044122t

  日期：2005.2.1

  with "L(2)PdMe+" species were investigated; (L(2) = CH(2)(N-Me-imidazol-2-yl)(2) (a, bim), (p-tolyl)(3)CCH(N-Me-imidazol-2-yl)(2) (b, Tbim), CH(2)(5-Me-2-pyridyl)(2) (c, CH(2)py'(2)), 4,4'-Me(2)-2,2'-bipyridine (d), 4,4'-(t)Bu(2)-2,2'-bipyridine (e), (2,6-(i)Pr(2)-C(6)H(3))N=CMeCMe=N(2,6-(i)Pr(2)-C(6)H(3)) (f)). [L(2)PdMe(NMe(2)Ph)][B(C(6)F(5))(4)] (2a-c) and [L(2)PdMe}(2)(mu-Cl)][B(C(6)F(5))(4)] (2d-f)

  研究了丙烯腈 (AN) 与“L(2)PdMe+”物质的反应；(L(2) = CH(2)(N-Me-imidazol-2-yl)(2) (a, bim), (p-tolyl)(3)CCH(N-Me-imidazol-2-yl) (2) (b, Tbim), CH(2)(5-Me-2-吡啶基)(2) (c, CH(2)py'(2)), 4,4'-Me(2)-2 ,2'-联吡啶 (d), 4,4'-(t)Bu(2)-2,2'-联吡啶 (e), (2,6-(i)Pr(2)-C(6)H) (3))N=CMeCMe=N(2,6-(i)Pr(2)-C(6)H(3)) (f))。[L(2)PdMe(NMe(2)Ph)][B(C(6)F(5))(4)] (2a-c) 和 [L(2)PdMe}(2)(mu- Cl)][B(C(6)F(5))(4)] (2d-f) 与 AN 反应形成 N 键合加合物 L(2)Pd(Me)(NCCH=CH(2))(