(η(5)-indenyl)Mo(CO)2Cl3 | 219503-30-7

• 英文名称: (η(5)-indenyl)Mo(CO)2Cl3
• 英文别名: IndMoCl3(CO)2
• CAS: 219503-30-7
• 化学式: C₁₁H₇Cl₃MoO₂
• 分子量: 373.474
• InChiKey: SYCPXELOHNDKMX-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

• 作为反应物：
  描述：

  (η(5)-indenyl)Mo(CO)2Cl3 以 氯仿 为溶剂， 以95%的产率得到[Mo(η(5)-indenyl)Cl3]
  参考文献：
  名称：

  New Synthetic Pathway to Mono- and Bis-indenyl Complexes of Molybdenum(IV)

  摘要：

  The complex IndMoCl(3)(CO)(2) (Ind = eta(5)-C9H7) has been synthesized by the reaction of IndMo-(eta(3)-C3H5)(CO)(2) with HCl gas in dichloromethane at 25 degrees C. Thermal decarbonylation of IndMoCl(3)(CO)(2) in chloroform gives paramagnetic IndMoCl(3) (mu(eff) = 1.48 mu(B)). A consistent stepwise route to bis-indenyl derivatives of molybdenum is available upon treatment of IndMoCl(3)(CO)(2) with Kind in THF at low temperature. The complex IndMo(eta(3)-Ind)(CO)(2) is obtained in high yield and opens a convenient entry into bis-indenyl molybdenum chemistry. The reaction of IndMo(eta(3)-Ind)(CO)(2) with Ph3CBF4, in CH2Cl2, yields [Ind(2)Mo(CO)(2)][BF4](2). Solvolysis of [Ind(2)Mo(CO)(2)][BF4](2) in acetonitrile affords [Ind(2)Mo(CO)(NCMe)][BF4](2) and [Ind(2)-Mo(NCMe)(2)][BF4](2). The reaction of [Ind(2)Mo(NCMe)(2)][BF4](2) with [Bu4N][S2CNEt2] forms the dithiocarbamate complex [Ind(2)Mo(S2CNEt2)][BF4]. The molecular structures of IndMo(eta(3)-Ind)(CO)(2) and [Ind(2)Mo(S2CNEt2)][BF4] have been determined by single-crystal X-ray diffraction.

  DOI：

  10.1021/om9805178
• 作为产物：
  描述：

  盐酸 、 (C9H7)Mo(η(3)-C9H7)(CO)2 以 二氯甲烷 为溶剂， 以75%的产率得到(η(5)-indenyl)Mo(CO)2Cl3
  参考文献：
  名称：

  New Synthetic Pathway to Mono- and Bis-indenyl Complexes of Molybdenum(IV)

  摘要：

  The complex IndMoCl(3)(CO)(2) (Ind = eta(5)-C9H7) has been synthesized by the reaction of IndMo-(eta(3)-C3H5)(CO)(2) with HCl gas in dichloromethane at 25 degrees C. Thermal decarbonylation of IndMoCl(3)(CO)(2) in chloroform gives paramagnetic IndMoCl(3) (mu(eff) = 1.48 mu(B)). A consistent stepwise route to bis-indenyl derivatives of molybdenum is available upon treatment of IndMoCl(3)(CO)(2) with Kind in THF at low temperature. The complex IndMo(eta(3)-Ind)(CO)(2) is obtained in high yield and opens a convenient entry into bis-indenyl molybdenum chemistry. The reaction of IndMo(eta(3)-Ind)(CO)(2) with Ph3CBF4, in CH2Cl2, yields [Ind(2)Mo(CO)(2)][BF4](2). Solvolysis of [Ind(2)Mo(CO)(2)][BF4](2) in acetonitrile affords [Ind(2)Mo(CO)(NCMe)][BF4](2) and [Ind(2)-Mo(NCMe)(2)][BF4](2). The reaction of [Ind(2)Mo(NCMe)(2)][BF4](2) with [Bu4N][S2CNEt2] forms the dithiocarbamate complex [Ind(2)Mo(S2CNEt2)][BF4]. The molecular structures of IndMo(eta(3)-Ind)(CO)(2) and [Ind(2)Mo(S2CNEt2)][BF4] have been determined by single-crystal X-ray diffraction.

  DOI：

  10.1021/om9805178

文献信息

• Bis-indenyl molybdenum(iv) halide complexes: synthesis and X-ray studies
  作者：Michael G. B. Drew、Vitor Félix、Carlos C. Romão、Beatriz Royo

  DOI：10.1039/b106540h

  日期：2002.2.5

  A stepwise route to bis-indenyl halide derivatives of molybdenum is reported. Treatment of [Ind2Mo(CO)2][BF4]2 with one equivalent of Bu4NBr in CH2Cl2 yielded [Ind2Mo(CO)Br][BF4] (1). When 1 was refluxed in NCMe and irradiated with a 60 W tungsten bulb [Ind2Mo(NCMe)Br][BF4] (2) was isolated. The reaction of [Ind2Mo(CO)Br][BF4] with LiBr afforded Ind2MoBr2 (3). The Ind2MoCl2 (4) analogue has been prepared directly by reaction of [Ind2Mo(CO)2][BF4]2 with LiCl. The reaction of Ind2MoBr2 with AlMe3 in toluene produces the bromo-methyl species Ind2MoBrMe (5). Treatment of Ind2MoBr2 with TlPF6 in the presence of P(OMe)3 afforded [Ind2MoP(OMe)3}2][PF6]2 (6) which was readily reduced by two equivalents of cobaltocene to yield the neutral species Ind2MoP(OMe)3}2 (7). Reaction of [Ind2Mo(CO)2][BF4]2 with P(OMe)3 in dichloromethane yielded [Ind2Mo(CO)Cl][BF4] (8). The molecular structures of [Ind2Mo(CO)X][BF4] [X = Cl (8) or Br (1)], Ind2MoBr2 (3) and [Ind2MoP(OMe)3}2][PF6]2 (6) have been determined by single crystal X-ray diffraction. The synthesis and characterisation of [(η3-Ind)Mo(CO)2]2[μ-η5-η5-(C5H4)2SiMe2] (9) is also reported.

  报告了一条逐步制备双茚基卤化钼衍生物的途径。将[Ind2Mo(CO)2][BF4]2 与一个当量的 Bu4NBr 在 CH2Cl2 中进行处理，得到[Ind2Mo(CO)Br][BF4]（1）。将 1 在 NCMe 中回流并用 60 W 的钨灯泡照射，分离出 [Ind2Mo(NCMe)Br][BF4] (2)。[Ind2Mo(CO)Br][BF4]与 LiBr 反应得到 Ind2MoBr2（3）。Ind2MoBr2 与 AlMe3 在甲苯中反应生成溴甲基物质 Ind2MoBrMe（5）。在 P(OMe)3 存在下，用 TlPF6 处理 Ind2MoBr2，可得到 [Ind2MoP(OMe)3}2][PF6]2（6），该物质很容易被两当量的二茂钴还原，生成中性物质 Ind2MoP(OMe)3}2（7）。在二氯甲烷中，[Ind2Mo(CO)2][BF4]2 与 P(OMe)3 反应生成 [Ind2Mo(CO)Cl][BF4]（8）。单晶 X 射线衍射测定了 [Ind2Mo(CO)X][BF4] [X = Cl (8) 或 Br (1)]、Ind2MoBr2 (3) 和 [Ind2MoP(OMe)3}2][PF6]2 (6) 的分子结构。此外，还报告了 [(η3-Ind)Mo(CO)2]2[μ-η5-η5-(C5H4)2SiMe2] (9) 的合成和特性。
• Exocyclic Coordination of the η³-Fluorenyl Anion:  Experimental and Theoretical Study
  作者：Maria J. Calhorda、Isabel S. Gonçalves、Eberhardt Herdtweck、Carlos C. Romão、Beatriz Royo、Luís F. Veiros

  DOI：10.1021/om990285s

  日期：1999.9.1

  The novel (eta(5)-Ind)Mo(eta(3)-Flu)(CO)(2) (Ind = indenyl, C9H7; Flu = fluorenyl, C13H9) can be readily prepared from (eta(5)-Ind)MoCl3(CO)(2) and LiFlu in toluene (90% yield). X-ray crystallographic studies show an exocyclic eta(3) coordination for the fluorenyl ligand, which is also predicted from dft calculations.