[Pd(acetonyl)Cl(1,5-cyclooctadiene)] | 1042309-89-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [Pd(acetonyl)Cl(1,5-cyclooctadiene)]
• 英文别名: (1Z,5Z)-cycloocta-1,5-diene;palladium(2+);propan-2-one;chloride
• CAS: 1042309-89-6
• 化学式: C₁₁H₁₇ClOPd
• 分子量: 307.128
• InChiKey: ZKSGNCYCBTWMAQ-PHFPKPIQSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.08
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [Pd(acetonyl)Cl(1,5-cyclooctadiene)] 以 not given 为溶剂， 生成 dichloro(cycloocta-1,5-diene)palladium (II)
  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：

  [Pd(acetonyl)Cl] 、 1,5-环辛二烯 以 四氢呋喃 为溶剂， 以81%的产率得到[Pd(acetonyl)Cl(1,5-cyclooctadiene)]
  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