[Re(ONCMe2)(CO)3(phen)] | 933467-36-8

• 英文名称: [Re(ONCMe2)(CO)3(phen)]
• CAS: 933467-36-8
• 化学式: C₁₈H₁₄N₃O₄Re
• 分子量: 522.534
• InChiKey: BNHWMDUTVKSSOY-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• 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：

  [Re(ONCMe2)(CO)3(phen)] 以 四氢呋喃 、 正己烷 、 二氯甲烷 为溶剂， 生成 [Re(NH2C(CO2Me)C(CO2Me)(O))(CO)3(phen)]
  参考文献：
  名称：

  Synthesis, Structure, and Reactivity of Mononuclear Re(I) Oximato Complexes

  摘要：

  Complexes [Re(ONCMe2)(CO)(3)(bipy)] (1) and [Re(ONCMe2)(CO)(3)(phen)] (2), synthesized by reaction of the respective triflato precursors [Re(OTf)(CO)(3)(N-N)] (N-N = bipy, phen) with KONCMe2, feature O-bonded monodentate oximato ligands. Compound [Re(CO)(3)(phen)(HONCMe2)]BAr'(4) (3), with a monodentate N-bonded oxime ligand, was prepared by reaction of [Re(OTf)(CO)(3)(phen)], HONCMe2, and NaBAr'(4). Deprotonation of 3 afforded 2. The oximato complexes reacted with p-tolylisocyanate, p-tolylisothiocyanate, maleic anhydride, and tetracyanoethylene, affording the products of the insertion of the electrophile into the Re-O bond, compounds 4-7. One representative of each type of compound was fully characterized, including single-crystal X-ray diffraction. The reactions of 1 and 2 with dimethylacetylenedicarboxylate were found to involve first an insertion as the ones mentioned above but followed by incorporation of water, loss of acetone, and formation of the charge-separated neutral amido complexes 9 and 10. The structure of 9 and 10 was determined by X-ray diffraction, and key features of their electronic distribution were studied using a topological analysis of the electron density as obtained from the Fourier map.

  DOI：

  10.1021/ic062168c
• 作为产物：
  描述：

  [Re(N(OH)CMe2)(CO)3(phen)]B(Ar')4 在 KN(Si(CH₃)3)2 作用下， 以 not given 为溶剂， 生成 [Re(ONCMe2)(CO)3(phen)]
  参考文献：
  名称：

  Synthesis, Structure, and Reactivity of Mononuclear Re(I) Oximato Complexes

  摘要：

  Complexes [Re(ONCMe2)(CO)(3)(bipy)] (1) and [Re(ONCMe2)(CO)(3)(phen)] (2), synthesized by reaction of the respective triflato precursors [Re(OTf)(CO)(3)(N-N)] (N-N = bipy, phen) with KONCMe2, feature O-bonded monodentate oximato ligands. Compound [Re(CO)(3)(phen)(HONCMe2)]BAr'(4) (3), with a monodentate N-bonded oxime ligand, was prepared by reaction of [Re(OTf)(CO)(3)(phen)], HONCMe2, and NaBAr'(4). Deprotonation of 3 afforded 2. The oximato complexes reacted with p-tolylisocyanate, p-tolylisothiocyanate, maleic anhydride, and tetracyanoethylene, affording the products of the insertion of the electrophile into the Re-O bond, compounds 4-7. One representative of each type of compound was fully characterized, including single-crystal X-ray diffraction. The reactions of 1 and 2 with dimethylacetylenedicarboxylate were found to involve first an insertion as the ones mentioned above but followed by incorporation of water, loss of acetone, and formation of the charge-separated neutral amido complexes 9 and 10. The structure of 9 and 10 was determined by X-ray diffraction, and key features of their electronic distribution were studied using a topological analysis of the electron density as obtained from the Fourier map.

  DOI：

  10.1021/ic062168c