[Pd(acetonyl)Cl]

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [Pd(acetonyl)Cl]
• 英文别名: Chloropalladium(1+);propan-2-one
• 化学式: C₃H₅O*Cl*Pd
• 分子量: 198.945
• InChiKey: DNOJVGUUPGKWPH-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  6
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-甲基-1,2-丁二烯 、 [Pd(acetonyl)Cl] 以 乙腈 为溶剂， 以77%的产率得到[Pd2(η3-CH2C(CH2C(O)Me)CMe2)2Cl2]
  参考文献：
  名称：

  New Acetonyl Palladium(II) Complexes

  摘要：

  [Pd [ CH2C(O)Me I CI],, (1), reacts with P- and N-donor ligands to afford cis- [Pd ( CH2C(O)Me I CI(dppf)] (dppf = bis(diphenylphosphino)ferrocene (2)) and [Pd I CH2C(O)Me I C11-21 (L = pyridine = py (3), 4-Mepyridine = Mepy (4), 4-'Bu-pyridine = 'Bupy (5)). Reaction of 3 or 3-5 with 1 equiv of [TI(acac)] or TITf0 and L affords, respectively, [PdJCH2C(0)Me)(0,0-acac)(py)] (6) or [PdJCH2C(0)MeJL3]Tf0 (L = py (7), Mepy (8), tBupy (9)). The reaction of 9 with I equiv of [Ph2P(CH2)212PhP (triphos) gave [Pd[CH2C(0)MeJ(triphos)]Tf0 (10). Complex 1 reacts with norbomene (nbn) followed by addition of L2 (1:2:1), with 1,5-cyclooctadiene (cod) (1:1) or with 1,1-dimethyl allene (dma) to give [Pdl(nbn)CH2C(O)Me)CIL2] (L2 = 2,2'-bipyridine (bpy) (11), 4,4'-di-tert-butyl 2,2'-bipyridine (dbbpy) (12)), [PdJCH2C(0)Me1CI(cod)] (13), or [Pdf)7 3_CH2CfCH2C(O)Me)CI]2 (14), respectively. The structures of complexes 3, 8, 11, and 13 have been solved by X-ray diffraction studies.

  DOI：

  10.1021/om8003288
• 作为产物：
  描述：

  bis(acetonyl)mercury 、 [Me4N]2[PdCl2(μ-Cl)]2 以 水 为溶剂， 以90%的产率得到[Pd(acetonyl)Cl]
  参考文献：
  名称：

  [Pd{CH₂C(O)Me}Cl]_n, a Key Product for the Synthesis of Acetonylpalladium(II) Complexes

  摘要：

  [Hg{CH2C(O)Me}(2)] reacts with [PdCl2(MeCN)(2)] (1:1) or with (Me4N)(2)[Pd2Cl6] (2:1) to give [Pd{CH2C(O)Me}Cl](n), which can be used to prepare a variety of acetonyl complexes. Thus, by reacting it; with the appropriate ligands, complexes [Pd{CH2C(O)Me}I](n), [Pd{CH2C(O)-Me}CIL2] [L-2 = N,N,N 'N ' -tetramethylethylenediamine, 2,2 ' -bipyridine, 4,4 '-(Bu-t)(2)-2,2 ' -bipyridine, 1,10-phenathroline; L = PPh3, dimethyl sulfoxide (dmso)], [Pd-2{CH2C(O)Me}{mu-kappa (2)-C,O-CH2C(O)Me}(mu -Cl)Cl(dmso)(2)], or [Pd-2{CH2C(O)Me}(2)(mu -Cl)(2)(tetrahydrothiophene)(2)] can be obtained. The crystal structures of the last two complexes and that of [Hg{CH2C(O)Me}(2)] have been determined by X-ray crystallography.

  DOI：

  10.1021/om0101036

文献信息

• Reactivity of [Pd{CH₂C(O)Me}Cl]<i>_n</i> toward Isocyanides
  作者：José Vicente、Aurelia Arcas、Jesús M. Fernández-Hernández、Delia Bautista、Peter G. Jones

  DOI：10.1021/om048999c

  日期：2005.5.1

  (RNC:Pd = 1 or 2) to give [Pd2CH2C(O)Me}2(μ-Cl)2(CNR)2] [R = tBu (2a), Xy (2b)] or trans-[PdCH2C(O)Me}Cl(CNR)2] [R = tBu (5a), Xy (5b)], respectively. These complexes decompose at room or higher temperature to give [Pd2κ2-C,O-C(NHR)CHC(O)Me}2(μ-Cl)2] [R = tBu (3a), Xy (3b)] or [Pdκ2-C,O-C(NHR)CHC(O)Me}Cl(CNR)] [R = tBu (6a), Xy (6b)], respectively, via insertion of the isocyanide into the Pd−C bond

  [Pd CH 2 C（O）Me} Cl] n（1）在低温下与RNC（RNC：Pd = 1或2）反应，得到[Pd 2 CH 2 C（O）Me}} 2（μ- Cl）2（CNR）2 ] [R = t Bu（2a），Xy（2b）]或反式-[Pd CH 2 C（O）Me} Cl（CNR）2 ] [R = t Bu（5a） ，Xy（5b）]。这些复合物分解在室温或更高的温度以得到[钯2 κ 2 - C，O -C（NHR）CHC（O）Me} 2（μ-Cl）的2 ] [R =吨BU（图3a），XY（图3b）]或[钯κ 2 - C，O -C（NHR）CHC（O）Me}氯（CNR）] [R = t Bu（6a），Xy（6b）]，分别是通过将异氰酸酯插入Pd-C键以及从β-酮亚胺到β-酮烯胺的互变异构过程。络合物[钯κ 2 - C，O -C（NHXy）CHC（O）Me}氯（NCMe）]（图4b）可通
• Crystal Structure of the Organometallic Polymer [Pd{CH₂C(O)Me}Cl]<i>_n</i>, Determined by X-ray Powder Diffraction Methods
  作者：Norberto Masciocchi、Fabio Ragaini、Angelo Sironi

  DOI：10.1021/om0202017

  日期：2002.8.1

  The crystal and molecular structure of the recently synthesized organornetallic [PdCH2C(O)Me}-Cl](n) polymer (Organometallics 2001, 20, 2767) has been unravelled by ab initio powder diffraction methods and shown to possess a different stereochemistry from the model proposed on the basis IR spectral data.