[Fe2(μ-CN(Me)2)(μ-CO)(CO)(isocyanato))(Cp)2] | 850088-24-3

• 英文名称: [Fe2(μ-CN(Me)2)(μ-CO)(CO)(isocyanato))(Cp)2]
• CAS: 850088-24-3
• 化学式: C₁₆H₁₆Fe₂N₂O₃
• 分子量: 396.009
• InChiKey: MLSSMMUHRQOJAY-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：
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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：

  [Fe2(η(5)-C5H5)2(CO)(MeCN)(μ-CO)(μ-CNMe2)]CF3SO3 、 sodium isocyanate 以 丙酮 为溶剂， 以81 %的产率得到[Fe2(μ-CN(Me)2)(μ-CO)(CO)(isocyanato))(Cp)2]
  参考文献：
  名称：

  带有 NCE− 配体的二铁氨基卡拜络合物（E = O、S、Se）

  摘要：

  Diiron μ-氨基卡宾络合物 [Fe2Cp2(NCMe)(CO)(μ-CO){μ-CN(Me)(R)}]CF3SO3（R = Xyl，[1aNCMe]CF3SO3；R = Me，[1bNCMe]CF3SO3； R = Cy, [1cNCMe]CF3SO3; R = CH2Ph, [1dNCMe]CF3SO3), 由三羰基前体 [1a–d]CF3SO3 新鲜制备，与 NaOCN（在丙酮中）和 NBu4SCN（在二氯甲烷中）反应得到 [Fe2Cp2(kN) -NCO)(CO)(μ-CO){μ-CN(Me)(R)}] (R = Xyl, 2a; Me, 2b; Cy, 2c) 和 [Fe2Cp2(kN-NCS)(CO)( μ-CO){μ-CN(Me)(CH2Ph)}], 3 通过乙腈配体的取代得到 67–81% 的产率。[1aNCMe–1cNCMe]CF3SO3 与 KSeCN 在 THF 中在回流温度下反应生成氰化物络合物

  DOI：

  10.3390/molecules28073251

文献信息

• Diiron and diruthenium aminocarbyne complexes containing pseudohalides: stereochemistry and reactivity
  作者：Luigi Busetto、Fabio Marchetti、Stefano Zacchini、Valerio Zanotti

  DOI：10.1016/j.ica.2004.11.033

  日期：2005.3

  Acetonitrile is easily displaced from [Fe-2mu-CN(Me)(R)}(mu-CO)(CO)(MeCN)(CP)(2)][SO3CF3] (R = 2.6-Me2C6H3 (Xyl) (1a); Me (1b)) upon stirring in THF at room temperature in the presence of [NBu4][SCN]. The resulting complexes trans-[Fe-2mu-CN(Me)(R)}(mu-CO)(CO)(NCS)(CP)(2)] (R = Xyl (trans-2a); Me (trans-2b)) are completely isomerised to cis-[Fe-2mu-CN(Me)(R)}(mu-CO)(CO)(NCO)(Cp)(2)] (R = Xyl (cis-2a); Me (cis-2b)) when heated at reflux temperature. Similarly, the complexes cis-[M-2mu-CN(Me)(R)}(mu-CO)(CO)(NCO)(Cp)(2)] (M = Fe, R = Me (4a); M = Ru, R = Xyl (4b); M = Ru, R = Me (4c)) and cis-[M-2mu-CN(Me)(R)}(mu-CO)(CO)(N-3)(CP)(2)] (M = Fe, R = Xyl (5a); M = Fe, R = Me (5b); M = Ru, R = Xyl (5c)) can be obtained by heating at reflux temperature a THF solution of [M-2mu-CN(Me)(R)}(mu-CO)(CO)(MeCN)(Cp)(2)][SO3CF3] (M = Fe, R = Xyl (1a); M = Fe, Me (1b); M = Ru, R = Xyl (1c); M = Ru, R = Me (1d)) in the presence of NaNCO and NaN3, respectively. The reactions of 5 with MeO2CC&3bond; CCO2Me, HC&3bond; CCO2Me and (NC)(H)C=C(H)(CN) afford the triazolato complexes [M-2mu-CN(Me)(R)}(mu-CO)(CO)N3C2(CO2Me)(2)}(Cp)(2)] (M = Fe, R = Xyl (6a); M = Fe, R = Me (6b); M = Ru, R = Xyl (6c)), [M-2mu-CN(Me)(R)}(mu-CO)(CO)N3C2(H)(CO2Me)}(Cp)(2)] (M = Fe, R = Me (7a): M = Ru, R = Xyl (7b)) and [Fe-2mu-CN(Me)(Xyl)}(mu-CO)(CO)(N3C2(H)(CN)}(Cp)(2)] (8), respectively. The asymmetrically substituted triazolato complexes 7-8 are obtained as mixtures of N(1) and N(2) bonded isomers, whereas 6 exists only in the N(2) form. Methylation of 6-8 results in the formation of the triazole complexes [Fe-2mu-CN(Me)(Xyl)}(mu-CO)(CO)N-3(Me)C-2(CO2Me)(2)}(Cp)(2)][CF3SO3] (9). [M-2mu-CN(Me)(R)}(mu-CO)(CO)N-3(Me)C-2(H)(CO2Me)}(Cp)(2)][CF3SO3] (M = Fe, R = Me (10a); M = Ru, R = Xyl (10b)) and [Fe-2mu-CN(Me) (Xyl)}(mu-CO)(CO)N-3(Me)C-2(H)(CN)}(Cp)(2)][CF3SO3], 11. The crystal structures of trans-2b, 4b center dot CH2Cl2, 5a, 6b center dot 0.5CH(2)Cl(2) and 8 center dot CH2Cl2 have been determined. (c) 2004 Elsevier B.V. All rights reserved.