Re3(μ-OCH2CMe3)3(η-C(H)=CH2)(OCH2CMe3)5 | 191283-64-4

• 英文名称: Re3(μ-OCH2CMe3)3(η-C(H)=CH2)(OCH2CMe3)5
• CAS: 191283-64-4
• 化学式: C₄₂H₉₁O₈Re₃
• 分子量: 1282.8
• InChiKey: BJXSFBOIOKXZLS-UHFFFAOYSA-N

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：

  [Na(THF)][Re3(μ-OCH2CMe3)3(H)(OCH2CMe3)6] 、 乙炔 以 二氯甲烷 为溶剂， 以53%的产率得到Re3(μ-OCH2CMe3)3(η-C(H)=CH2)(OCH2CMe3)5
  参考文献：
  名称：

  Reactions of a Trirhenium(III) Neopentoxide Cluster with Ethylene and Alkynes

  摘要：

  Re-3(mu-OCH2CMe3)(3)(OCH2CMe3)(6) reacts with ethylene to give Re-3(mu-OCH2CMe3)(3)Et(OCH2-CMe3)(5), a product of Re-H ethylene insertion, and pivaldehyde. The ethyl cluster incorporates the label when it is stirred under an atmosphere of (C2H4)-C-13, indicating the ethylene insertion is reversible. Re-3(mu-OCH2CMe3)(3)(OCH2CMe3)(6) reacts similarly with substituted alkynes to give the insertion products Re-3(mu-OCH2CMe3)(3)(eta-C(R)=C(H)R')(OCH2-CMe3)(5) (R = R' = Me, Et; R = H, R' = t-Bu; R = SiMe3, R' = H) and 1 equiv of pivaldehyde per product cluster. In contrast to these alkyne insertion reactions, the homoleptic alkoxide cluster reacts with ethyne to give Re-3(mu-OCH2CMe3)(2)(mu-C2H2)(OCH2CMe3)(7), a triangular cluster in which ethyne bridges perpendicularly Co a Re-Re edge. The ethyne in the adduct is substantially reduced as judged by the long C-C bond and small C-13-C-13 coupling constant, suggesting a dimetallatetrahedrane description for the Re-alkyne interaction may be most appropriate, The preformed hydride cluster [Na(THF)(2)][Re-3(mu-OCH2CMe3)(3)(H)(OCH2CMe3)(6)]reacts with ethyne to give Re-3(mu-OCH2CMe3)(3)(eta-C(H)=CH2)(OCH2CMe3)(5).

  DOI：

  10.1021/om970011+