hexacarbonyl[μ-[(2,3,4-η:5,6,7-η)-2-methylcyclohepta-2,4,6-trien-1-one]]diiron | 163579-81-5

• 英文名称: hexacarbonyl[μ-[(2,3,4-η:5,6,7-η)-2-methylcyclohepta-2,4,6-trien-1-one]]diiron
• 英文别名: hexacarbonyl[μ-[(2,3,4-η:5,6,7-η)-2-methyltropone]]diiron
• CAS: 163579-81-5；104104-03-2
• 化学式: C₁₄H₈Fe₂O₇
• 分子量: 399.907
• InChiKey: POPHAIPKMIWGOF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  diiron nonacarbonyl 、 2-methyltropone 以 苯 为溶剂， 以74%的产率得到tricarbonyl[(4,5,6,7-η)-2-methylcyclohepta-2,4,6-trien-1-one]iron
  参考文献：
  名称：

  2-取代肌钙蛋白铁羰基复合物的合成

  摘要：

  2-取代的托酮在辐照下与 Fe2(CO)9 或 Fe(CO)5 反应，得到在未取代的二烯部分配位的三羰基铁配合物。2-Bromotropone 提供另一种在取代二烯上配位的三羰基铁络合物作为次要产物。2-甲基-、2-苯基-和2-甲苯磺酰氧托酮产生二-π-烯丙基型二铁六羰基配合物。此外，2-二烷基氨基托酮产生六羰基二铁络合物作为主要产物，其中包含一种新的烯胺型络合物。

  DOI：

  10.1246/cl.1985.1879

文献信息

• The synthesis of a hydroazulen-2-one skeleton-determination of the diastereoselectivity of [3+2] cycloaddition of tricarbonyl[(4,5,6,7-η)-2-methyltropone]iron with E/Z-η1-(crotyl)Fp
  作者：Branislav Horváth、Andrej Boháč、Marta Sališová、Eva Solčániová、Myron Rosenblum

  DOI：10.1016/s0022-328x(02)01671-6

  日期：2002.10

  The diastereoselectivity of [3 + 2] cycloaddition of tricarbonyl [(4,5,6,7-eta)-2-methyltropone]iron (2) with an E,Z isomeric mixture of eta(1)-(crotyl)Fp (4E14Z) [Fp: C5H5Fe(CO)(2) or CpFe(CO)(2)] has been studied. By this cyclopentaanulation, four stereogenic centres are formed. The reaction occurs regioselectively and stereo selectively. The relative configurations of the cycloadducts 5a, 5b and 5c were assigned on the basis of 2D and NOE NMR experiments. A mechanism for the stereoselective [3 + 2] cycloaddition has been proposed. The selectivity of the cycloaddition depends on the difference in steric discrimination approaches of the eta(1)-(crotyl)Fp 4E/4Z to the tricarbonyl[(3,4,5,6,7-eta)-1-trimethylsilyloxy-2-methyltropylium]iron 3 (repulsion of the methyl and methylene groups of 4 and the planar skeleton of 3) and also upon the isomeric structure (E or Z) of the eta(1)-(crotyl)Fp reactant. The geometrical isomerism of the reagent (4E/4Z) is preserved in the products 5a-c. (C) 2002 Elsevier Science B.V. All rights reserved.