W(η(2)-diphenylcyclopropene)(O)Cl(OC(CH3)(CF3)2)[P(OMe)3]2 | 172952-31-7

• 英文名称: W(η(2)-diphenylcyclopropene)(O)Cl(OC(CH3)(CF3)2)[P(OMe)3]2
• CAS: 172952-31-7
• 化学式: C₂₅H₃₃ClF₆O₈P₂W
• 分子量: 856.773
• InChiKey: DOPNTBFYWUOHKW-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  1,1,1,3,3,3-hexafluoro-2-methylpropoxylithium 、 W(η(2)-diphenylcyclopropene)Cl2(O)[P(OMe)3]2 以 氘代苯 为溶剂， 生成 W(η(2)-diphenylcyclopropene)(O)Cl(OC(CH3)(CF3)2)[P(OMe)3]2
  参考文献：
  名称：

  Synthesis and Reactions of Tungsten Oxo Vinylalkylidene Complexes:  Reactions of WCl₂(O)(PX₃) (X = OMe, R) Precursors with 3,3-Diphenylcyclopropene

  摘要：

  Complexes of the type WCl2(O)[PX(3)](3) (PX(3) = P(OMe)(3) (1); PMePh(2) (2)) were synthesized according to procedures previously described in the literature. Upon treatment with 3,3-diphenylcyclopropene, complexes 1 and 2 afforded the corresponding eta(2)-cyclopropene complexes. Spectroscopic data of W(eta(2)-diphenylcyclopropene)Cl-2(O)[PX(3)](2) (PX(3) = P(OMe)(3) (4); PMePh(2) (5)) were consistent with an octahedral geometry in which the two mutually trans PX(3) ligands and the cyclopropene ligand occupy equatorial positions cia to the apical oxo ligand. The;thermal rearrangement of the eta(2)-cyclopropene complexes leads to the dimerization product of 3,3-diphenylcyclopropene: 1,1,6,6-tetraphenyl-1,3,5-hexatriene. The presence of carbene species before the dimerization occurs has been demonstrated. Upon treatment with 2 equiv of lithium hexafluoro-tert-butoxide, complexes 4 and 5 give the vinyl alkylidene complexes W(=CHCH=CPh(2))(O)[OC(CH3)(CF3)(2)](2)[PX(3)] (PX(3) = P(OMe)(3) (10); PMePh(2)(7)). The spectroscopic data of 10 and 7 indicated a distorted trigonal bipyramid, where the oxo and alkylidene ligands are cis to each other and placed in the equatorial plane.

  DOI：

  10.1021/om950389c