(η6-3-methyl-2-phenylpyridine)tricarbonylchromium | 215104-48-6

• 英文名称: (η6-3-methyl-2-phenylpyridine)tricarbonylchromium
• CAS: 215104-48-6
• 化学式: C₁₅H₁₁CrNO₃
• 分子量: 305.253
• InChiKey: VKZFZURBEJMMSD-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：

  benzylpentacarbonylmanganese 、 (η6-3-methyl-2-phenylpyridine)tricarbonylchromium 以 正庚烷 为溶剂， 以86%的产率得到tetracarbonyl[2-[(η(6)-phenyl)tricarbonylchromiumκ(C2')]-3-methylpyridineκ(N)]manganese(I)
  参考文献：
  名称：

  Cyclomanganated（η 6 -arene）tricarbonylchromium络合物：合成和反应性

  摘要：

  （的cyclomanganation η 6 -arene）tricarbonylchromium络合物通过与benzylpentacarbonylmanganese得到新的双金属化合物反应。本报告探讨了锰的机理以及环化锰配合物反应性的其他潜在方面。

  DOI：

  10.1016/s0022-328x(98)00669-x
• 作为产物：
  描述：

  3-甲基-2-苯基吡啶 、 六羰基铬 以 四氢呋喃 为溶剂， 以80%的产率得到(η6-3-methyl-2-phenylpyridine)tricarbonylchromium
  参考文献：
  名称：

  Cyclomanganated（η 6 -arene）tricarbonylchromium络合物：合成和反应性

  摘要：

  （的cyclomanganation η 6 -arene）tricarbonylchromium络合物通过与benzylpentacarbonylmanganese得到新的双金属化合物反应。本报告探讨了锰的机理以及环化锰配合物反应性的其他潜在方面。

  DOI：

  10.1016/s0022-328x(98)00669-x

文献信息

• Stereoselective “Electrophilic” Cyclometalation of Planar-Prochiral (η⁶-Arene)tricarbonylchromium Complexes with Asymmetric Metal Centers:  pseudo-<i>T</i>-4 [Cp*RhCl₂]₂ and [Cp*IrCl₂]₂
  作者：Carla Scheeren、Fida Maasarani、Akram Hijazi、Jean-Pierre Djukic、Michel Pfeffer、Snežana D. Zarić、Xavier-Frédéric Le Goff、Louis Ricard

  DOI：10.1021/om070170l

  日期：2007.7.1

  The reactivity of a set of prototypical (eta(6)-arene)tricarbonylchromium complexes bearing amino, oxazolyl, and pyridyl ancillary ligands versus [Cp*RhCl2](2) and [Cp*IrCl2](2) has been investigated. Successful cyclometalation reactions were achieved essentially in the presence of hydrated sodium acetate with planar-prochiral 2-phenylpyridine and 3-methyl-2-phenylpyridine complexes with yields ranging from 60% to 92%. The most salient feature of the reported reactions is their stereoselectivity, as the only diastereomers to be produced are those with the Rh- and Ir-bound chloro ligand located trans with respect to the Cr(CO)(3). According to X-ray diffraction analyses, a relative rac-(pR,T-4-S) configuration may be assigned to the complexes: the Cp* ligand sits unexpectedly syn with respect to the tricarbonylmetal moiety. Introduction of the Cr(CO)(3) moiety by treatment of cycloiridated 2-phenylpyridine with tricarbonyl(eta(6)-naphthalene)chromium resulted in a unique diastereomer of the same relative configuration. Quantum calculations using the density functional theory were carried out on models of syn and trans-chloro isomers. Owing to strong electrostatic repulsion between the chloro ligand and the Cr(CO)(3) moiety, the syn-chloro isomers were found less stable by 7-8 kcal/mol than the trans counterparts, suggesting that cyclorhodation and cycloiridation reactions are thermodynamically controlled.