| 923015-87-6

• CAS: 923015-87-6
• 化学式: C₂₅H₄₀N₄OZr
• 分子量: 503.843
• InChiKey: MIQCMEZVFOCLJA-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

• 作为产物：
  描述：

  [Zr(η⁵-C₅Me₅)(NMe₂)₃] 、 2-Oxazolamine, 4,5-dihydro-4,4-dimethyl-N-phenyl- 以 甲苯 为溶剂， 以41%的产率得到
  参考文献：
  名称：

  Chiral Alkoxide-Functionalized Guanidinates from Ring-Opening Rearrangement of Aminooxazolinate Complexes

  摘要：

  Treatment of Cp*M(NMe2)(3) (M = Zr, Hf) with both achiral and optically pure chiral aminooxazoline proligands HL yields metastable aminooxazolinate half-sandwich diamide complexes [Cp*ML(NMe2)(2)]. These species undergo clean rearrangement via oxazoline ring-opening to carbodiimides followed by amide migratory insertion. The chiral-at-metal products contain tridentate alkoxide-functionalized guanidinates, as confirmed by X-ray diffraction. In some of the chiral ligand systems, single diastereomer samples can be prepared, either by direct reaction or after recrystallization. As a result of the chelate structure, no thermal conversion between diastereomers is observed. A mechanism leading to the observed diastereoselection involving an intramolecular CH-pi interaction in the major product is proposed.

  DOI：

  10.1021/om0607649