{(η5-cyclopentadienyl)(carbonyl)iron(μ-SMe)2iron(carbonyl)(η5-cyclopentadienyl)} | 12087-63-7

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: {(η5-cyclopentadienyl)(carbonyl)iron(μ-SMe)2iron(carbonyl)(η5-cyclopentadienyl)}
• 英文别名: (η5-C5H5)2Fe2(CO)2(μ2-SMe)2
• CAS: 12087-63-7
• 化学式: C₁₄H₁₆Fe₂O₂S₂
• 分子量: 392.106
• InChiKey: ASSIZTSGWFHRIL-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

• 作为反应物：
  描述：

  {(η5-cyclopentadienyl)(carbonyl)iron(μ-SMe)2iron(carbonyl)(η5-cyclopentadienyl)} 以 neat (no solvent) 为溶剂， 以78%的产率得到二茂铁
  参考文献：
  名称：

  探索性快速真空热解某些环戊二烯基铁配合物

  摘要：

  在500℃，真空闪热解（η 5 -C 5 H ^ 5）2的Fe 2（CO）4提供的四核配合物（η一个快速，实用合成5 -C 5 H ^ 5）4的Fe 4（μ 3 -CO）4：在较高温度下会形成二茂铁。二茂铁本身在快速真空热解条件下，甚至在725°C下几乎没有变化。新戊二茂铁在650°C不变，但在675至700°C时开裂产生异丁烯。该反应不能通过简单的消除来进行，因为可以在闪蒸真空热解条件下不变地回收甲酰基二茂铁，该条件从新戊酰基二茂铁中产生了大量的异丁烯。

  DOI：

  10.1016/0022-328x(87)85047-7
• 作为产物：
  描述：

  cyclopentadienyl iron(II) dicarbonyl dimer 、 methyl thionitrite 以 苯 为溶剂， 以40%的产率得到bis(methanethiolato)bis(dinitrosyliron)
  参考文献：
  名称：

  N-亚硝胺胺对一氧化碳的胺化作用：羰基铁和亚硝酰基铁配合物的合成，结构及其在杂环合成中的应用

  摘要：

  Nitrosamines, R2NNO, undergo homolytic cleavage of the N-N bond on reaction with iron carbonyls to give Fe(CO)2(NO)2 and organoiron products containing the ligands R2N, R2NCO, and R2NC, formally derived from amination of complexed carbon monoxide, together with amines and ureas. The major products from dimethyl- and diethylnitrosamine are (OC)4-Fe(mu-CNR2)Fe(CO)2NO (4). The ethyl derivative has been crystallographically characterized: space group Pbca, a = 13.573(5) angstrom, b = 14.675(2) angstrom, c = 16.313(2) angstrom, V = 3249.3 angstrom3, Z = 8, R(F) = 0.057, and R(w) = 0.061 for 1152 reflections with I greater-than-or-equal-to 2sigma(I). These nitrosyls are thermolyzed to the bridging carbyne complexes (OC)3Fe(mu-CNR2)2Fe(CO)3 (9) and trinuclear [(OC)3Fe]3-(mu3-CNR2)2 (21). Other products include (OC)3Fe[(mu-CNR2)(mu-OCNR2)]Fe(CO)3 (5), (OC)3Fe]3-[(mu-NR2)(mu-OCNR2)]Fe(CO)3 (6), and (OC)3Fe[(mu-NR2)(mu-CNR2)]Fe(CO)3 (8). Thermolysis of the carbene complex(Me2N)2CFe(CO)4 gives 5,8,9, and 21. The major product from N-methyl-N-nitrosoaniline and Fe2(CO)9 is the ortho-metalated ferracycle C6H4N(CH3)COFe(CO)4 (7), which has been crystallographically characterized: space group P2(1)/c, a = 6.396(1) angstrom, b = 10.056(2) angstrom, c = 19.025(3) angstrom, beta = 95.17(1)-degrees, V = 1218.7(1) angstrom3, Z = 4, RF = 0.032, and R(w) = 0.042 for 2008 reflections with I greater-than-or-equal-to 3sigma(I). This ferracycle, tetracarbonyl(1-methyl-3-ferra-2-oxindole), undergoes trimethylamine N-oxide induced alkyne insertion to yield 3,4-disubstituted (Et-, MeO2C-) 1-methyl-2-quinolones, while photochemically induced insertion of an alkyne gives a product where the 3,4-alkene bond has been reduced, together with the carbonylation product, N-methylisatin. One of two isomers Of (OC)3Fe[(mu-N(Me)Ph)(mu-OCN(Me)Ph)]Fe(CO)3 has been structurally characterized with psi-anti-Ph and psi-anti-Me groups: P2(1)/n, a = 19.919(7) angstrom, b = 10.122(4) angstrom, c = 22.548(9) angstrom, beta = 98.90(3)-degrees, V = 4491(3) angstrom3, Z = 8, R(F) = 0.045, and R(w) = 0.062 for 4648 reflections with I greater-than-or-equal-to 3sigma(I). Thionitrites, RSNO, react with Fe2(CO)9 to give Fe(CO)2(NO)2 and Roussin's red esters [(ON)2Fe(SR)]2, with Ni(CO)4 to give polymeric [RSNiNO]x, with Hg[CO(CO)4]2 to give CO(CO)3NO and unstable [CH3SCo(NO)2]2, with Mo-(CO)6 to give apolymeric product, with [C5H5Fe(CO)2]2 to give a mixture of [C5H5Fe(CO)SMe]2 and [MeSFe(NO)2]2, and with [C5H5Mo(CO)3]2 to give C5H5Mo(CO)2NO. [PhSNiNO]x reacts with C5H5Na to give C5H5NiNO, while NO reacts with [PhSNiC5H5]2 to give [PhSNiNO]x and C5H5NiNO. Fe(CO)2(NO)2 is synthesized by reacting ethyl nitrite with Fe2(CO)9 and from Fe(CO)4I2 and silver nitrite.

  DOI：

  10.1021/om00029a034

文献信息

• Rapid [SR]+ exchange between metal-thiolate and metal-organic disulphide complexes
  作者：P.M. Treichel、E.K. Rublein

  DOI：10.1016/0022-328x(92)83132-2

  日期：1992.1

  Exchange of the uncoordinated thiolate group, [SMe]+, in [CpFe(CO)2(MeSSMe)]+ with CpFe(CO)2SMe is rapid on the NMR timescale, leading to average cyclopentadienyl and methyl proton environments even at −78°C. Similar behavior is observed with fast [Sme]+ exchange between metal centres in other complexes (CpFe(CO)2SPh; CpFe(CO)(L)SMe, L = PPh3, P(OPh)3; CPW(CO)3SMe) and for the [SPh]+ exchange between

  在CpFe （CO）2 SMe中，[CpFe（CO）2（MeSSMe）] +中未配位的硫醇盐基团[SMe] +的交换在NMR时标上是迅速的，甚至在-78时也能形成平均的环戊二烯基和甲基质子环境℃。类似的行为与快速[SME]观察到+在其它复合物（金属中心之间交换CpFe的量（CO）2 CpFe的量（CO）（L）SME，L = PPH; SPh上3，P（OPH）3 ; CPW（CO）3 SMe）和CpFe （CO）2 SPh中心之间的[SPh] +交换。涉及不同金属基团之间交换的实验表明，[SR] +的位置偏爱 该基团与硫醇盐基团的预期碱度相似。
• Rumin, René; Manojlović-Muir, Ljubica; Muir, Kenneth W., Organometallics, 1988, vol. 7, # 2, p. 375 - 383
  作者：Rumin, René、Manojlović-Muir, Ljubica、Muir, Kenneth W.、Pétillon, Francois Y.

  DOI：——

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Fe: Org.Verb.A1, 2.1.3, page 24 - 28
  作者：

  DOI：——

  日期：——
• Mass spectra of organometallic compounds. II. Some cyclopentadienylmetal carbonyl derivatives
  作者：R. B. King

  DOI：10.1021/ja01008a008

  日期：1968.3
• Mass spectra of organometallic compounds. III. Organosulfur derivatives of metal carbonyls
  作者：R. B. King

  DOI：10.1021/ja01008a009

  日期：1968.3