tricarbonyl((2-5-η(4))-3,7-dimethyl-2,4,6-octatriene)iron | 32735-39-0

• 英文名称: tricarbonyl((2-5-η(4))-3,7-dimethyl-2,4,6-octatriene)iron
• CAS: 32735-39-0；32735-38-9
• 化学式: C₁₃H₁₆FeO₃
• 分子量: 276.115
• InChiKey: QECLWBKQKYYZQL-OGCQIRMJSA-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

• 作为反应物：
  描述：

  四氧化锇 、 tricarbonyl((2-5-η(4))-3,7-dimethyl-2,4,6-octatriene)iron 在 sodium metabisulfite 、 水 作用下， 以 吡啶 为溶剂， 以69%的产率得到
  参考文献：
  名称：

  三羰基（η-hexa-1,3,5-三烯）铁（0）的一些反应

  摘要：

  标题配合物是由hexa-1,3,5-三烯与九羰基二铁（0）反应制得的，并研究了不饱和烯烃残基与亲电试剂和亲烯试剂的一些反应。使用硼烷，在中间体硼烷配合物进行氧化后，并通过吡啶中的四氧化，可以中等收率获得三羰基（3–6-η-六-3,5-二烯-1-醇）铁（0）三羰基（3–6-η-六-3,5-二烯-1,2-二醇）铁（0）的收率很低。与其他亲电试剂。尚未分离出可表征的含铁有机化合物。标题复合物的质子化得到三羰基（2–6-η-己二烯基）铁（0）四氟硼酸盐。试图使这种复合物去质子化导致隔离其他产物。

  DOI：

  10.1039/dt9770000794

文献信息

• Reactivity of (Pentadienyl)iron(1+) Cations: Nucleophilic Addition by Phosphines Is Reversible in Certain Cases
  作者：William A. Donaldson、Lewei Shang、Muthukumar Ramaswamy、Christine A. Droste、Chunlin Tao、Dennis W. Bennett

  DOI：10.1021/om00011a034

  日期：1995.11

  The reaction of (pentadienyl)Fe(CO)(3)(+) cations 1, 5, and 11 with phosphines was examined. At short reaction times, attack of PPh(3) on 1a proceeds at both the unsubstituted and substituted pentadienyl termini to give 2a and 3a, respectively (2:1); however, over a period of ca. 21 h, the minor product 3a isomerizes to the more thermodynamically stable 2a. As the steric bulk of the 1-substituent is increased from methyl to ethyl (1b), kinetic attack by PPh(3) occurs exclusively at the unsubstituted pentadienyl terminus. The complex 2a was characterized crystallographically, and the stereochemistry of PPh(3) attack was established to be opposite to Fe(CO)(3) by use of a stereoselectively labeled cation, d(exo)-1a. The reaction of PPh(3) with 11 initially gives E,Z-12, which isomerizes to E,E-12 over a 22 h period. Reaction with 5 with ((S)-neomenthyl)diphenylphosphine gives two optically active diastereomers, 15a and 15b (3:2 ratio); fractional crystallization gives 15a in greater than 80% mass recovery. In solution, pure 15a isomerizes to a mixture of 15a and 15b (3:2). The interconversions of 3a to 2a, of E,Z-12 to E,E-12, and of 15a and 15b are rationalized by reversible phosphine addition.