fac-[RuBr3(CC(H)=C-(i-Pr)2)(1,1'-bis(diphenylphosphino)ferrocene)] | 857494-85-0

• 英文名称: fac-[RuBr3(CC(H)=C-(i-Pr)2)(1,1'-bis(diphenylphosphino)ferrocene)]
• CAS: 857494-85-0
• 化学式: C₄₃H₄₃Br₃FeP₂Ru
• 分子量: 1018.39
• InChiKey: ZQGNTLPFWOZIAC-UHFFFAOYSA-K

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：

  3-异丙基-4-甲基-1-炔基-3-戊醇 、 (bis(diphenylphosphino)ferrocene)bis(2-methylpropenyl)ruthenium 、 氢溴酸 以 乙醚 、 正己烷 、 丙酮 为溶剂， 以93%的产率得到fac-[RuBr3(CC(H)=C-(i-Pr)2)(1,1'-bis(diphenylphosphino)ferrocene)]
  参考文献：
  名称：

  Efficient One-Pot Synthesis of α,β-Unsaturated Carbyne Complexes fac-[RuX₃{⋮CC(H)CR₂}(dppf)] (X = Cl, Br; R = Aryl, Alkyl; dppf = 1,1‘-Bis(diphenylphosphino)ferrocene)

  摘要：

  Alkenyl-carbyne complexes fac-[RuX3{equivalent to CC(H)=CR2}(dppf)] (X = Cl, Br; R = Ph, Pr-i or CR2 = C13H8) (2a-c, 3a-c) have been prepared by reaction of the bis(allyl)-ruthenium(II) derivative [Ru(eta(3)-2-C3H4Me)(2)(dppf)] (1) with the appropriate propargylic alcohol HC equivalent to CCR2(OH) in the presence of 3.5 equiv of the corresponding hydrogen halide HX. The structure of compounds fac-[RuCl3{equivalent to CC(H)=CR2}(dppf)] (R = Ph (2a) and Pr-i (2c)) has been confirmed by X-ray crystallography. Structural parameters within the alkenyl-carbyne chain in 2a,c suggest an important contribution of the zwitterionic vinylidene canonical form fac- [RuCl3{=C=C(H)-CR2}(dppf)]. Formation of complexes 2,3a-c involves the 1,3-addition of HX to the corresponding dinuclear allenylidene intermediates [{RuX(mu-X)(=C=C=CR2)(dppf)}(2)]. Such allenylidene complexes, i.e., [{RuX(mu-X)(=C=C=CR2)(dppf)}(2)] (X = Cl, Br; R = Ph or CR2 = C13H8) (4a,b, 5a,b), have been prepared and characterized by treatment of fac-[RuX3-{equivalent to CC(H)=CR2}(dppf)] (X = Cl, Br; R = Ph or CR2 = C13H8) (2a,b, 3a,b) with 1 equiv of AgSbF6, via halide abstraction and concomitant deprotonation of the alkenyl-carbyne chain.

  DOI：

  10.1021/om050204u