[Pt(acetonyl)Cl(1,5-cyclooctadiene)] | 912640-87-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [Pt(acetonyl)Cl(1,5-cyclooctadiene)]
• 英文别名: [Pt(acetonyl)Cl(cod)]；(1Z,5Z)-cycloocta-1,5-diene;platinum(2+);propan-2-one;chloride
• CAS: 912640-87-0
• 化学式: C₁₁H₁₇ClOPt
• 分子量: 395.788
• InChiKey: JOYSQUVBMAALSK-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

• 作为产物：
  描述：

  dichloro( 1,5-cyclooctadiene)platinum(ll) 、 (acetylmethyl)mercury chloride 以 丙酮 为溶剂， 以20%的产率得到[Pt(acetonyl)Cl(1,5-cyclooctadiene)]
  参考文献：
  名称：

  Acetonyl Platinum(II) Complexes

  摘要：

  Me4N[Pt{CH2C(O)Me}Cl-2(eta(2)-C2H4)] (1), reacts either (1) with neutral ligands to afford cis-Me4N[Pt{CH2C(O)Me}Cl-2(L)] (L = CO (2), eta(2)-PhCH=CH2 (3), eta(2)-PhC CPh (4), eta(2)-H2C=C=CMe2 (5), PPh3 (6), AsPh3 (7)), trans- or/and cis- [Pt{CH2C(O)Me}ClL2] (L = PPh3 (8), AsPh3 (9), tht (10), XyNC (11), 'BuNC (12), py (17)), [Pt{CH2C(O)Me}Cl(eta(2)-C2H4)(L)] (L = py (16)), or cis-[Pt{CH2C(O)Me}-ClL2] (L-2 = norbornadiene (nbd, 18), 1,5-cyclooctadiene (cod, 19), bis(diphenylphosphino)methane (dppm, 20), 4,4'-di-tert-butyl-2,2'-bipyridyl (dbbpy, 21)) or (2) with [Tl(acac)] to give [Pt{CH2C(O)Me}(O,O-acac)(eta(2)-C2H4)] (22) which reacts with neutral ligands to give [Pt{CH2C(O)Me}(O,O-acac)(L)] (L = CO (23), PPh3 (24), XyNC (25)). The different behavior of py and stronger :pi-acceptor ligands, as CO and PR3 toward 1, has been explained through a DFT study. Reaction of 11trans with 2 equiv of XyNC affords a mixture of trans-[Pt{C(O)NHXy}Cl(CNXy)(2)] (13) and trans-[Pt{C(NHXy)(2)}Cl(CNXy)(2)]Cl (14). The first was isolated by recrystallization and the latter by reacting cis-[PtCl2(CNXy)(2)] with 2 equiv of XyNC. However, cis-[Pt{CH2C(O)Me}(2)(bpy)] reacts with 4 equiv of XyNC to give cis-[Pt{CH2C(O)Me}(2)(CNXy)(2)] (15).

  DOI：

  10.1021/om700665n