| 142842-18-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• CAS: 142842-18-0
• 化学式: C₅₆H₅₀N₄Nb₂Si₂
• 分子量: 1021.02
• InChiKey: CSRYNBRXFJWVKB-UHFFFAOYSA-N

反应信息

• 作为反应物：
  描述：

  、 3-己炔 以 甲苯 为溶剂， 以60%的产率得到
  参考文献：
  名称：

  Profilet, Robert D.; Fanwick, Phillip E.; Rothwell, Ian P., Angewandte Chemie, 1992, vol. 104, p. 1277 - 1278

  摘要：

  DOI：
• 作为产物：
  描述：

  咔唑 、 以 甲苯 为溶剂， 以46%的产率得到
  参考文献：
  名称：

  咔唑连接负载的铌和钽的1,3-二金属环丁二烯衍生物：与有机异氰酸酯的反应性

  摘要：

  的次烷基桥连的衬底[（ME 3 SICH 2）2 M（μ-CSiMe 3）2 M（CH 2森达3）2 ]（M = Nb的，图1A ; M =钽，1B）在100℃下在数天反应在含过量咔唑试剂的烃溶液中（N'H =咔唑（cbH）四氢咔唑（thcbH）或3-叔丁基咔唑（cbH-3Bu t））生成相应的衍生物[（N'）2 M（μ -CSiMe 3）2 M（N'）2 ]（N'= cb（2），thcb（3），cbh-3Bu t（4））为深红色（M = Nb，a）和橙色（M = Ta，b）固体。铌和钽配合物在烃类溶剂中的溶液分别为深蓝色和深红色。只有化合物4b足够可溶，可用于检测13 C NMR光谱中δ412 ppm处的桥接亚烷基碳共振。2a和同构2b的固态结构显示了由四个N-供体咔唑配体支撑的中心1,3-双金属环丁二烯核，M-M距离为2.9015（4）Å（M = Nb）和2.8801（4）Å （M =

  DOI：

  10.1021/om9604379

文献信息

• ‘1,3-dimetallabenzene’ derivatives of niobium and tantalum
  作者：Patrick N. Riley、Robert D. Profilet、Michelle M. Salberg、Phillip E. Fanwick、Ian P. Rothwell

  DOI：10.1016/s0277-5387(97)00316-1

  日期：1998.3

  The alkylidyne bridged compounds [(cb)(2)M(mu-CSiMe3)(2)M(cb)(2)] (1a, M = Nb; 1b, M = Ta; cb = carbazole) react thermally with one equivalent of alkynes EtC=CEt and Me3SiC=CH to produce new organometallic derivatives 2 and 3, respectively. The molecular structures of 2 and 3 are shown to consist of non-planar six-membered di-metallacycles originating from insertion of an alkyne unit into one of the alkylidyne bridges of 1. Treatment of 1b with 3,5-di-tert-butyl-2,6-diphenylphenol (ArOH) leads to the mono-phenoxide [(ArO)(cb)Ta(mu-CSiMe3)(2)Ta(cb)(2)] 4. Treatment of 4 with Me3SiC=CH leads to the corresponding metallacycle [(ArO)(cb)Ta(mu-CSiMe3)mu-C(SiMe3)}Ta(cb)(2)] 5. Structural parameters for 2b, 3a, 3b and 5 obtained by X-ray diffraction show delocalization is present with four equivalent M-C and two equivalent C-C distances. The non-planar structure is best described as a twist of the planar [M(mu-C)-M] and [C-C-C] units within the ring. The non-planar structure of 2a and 2b is maintained in solution as evidenced by diastereotopic methylene protons for the CH2CH3 substituents. At elevated temperatures coalescence to a simple A(2)B(3) pattern is observed. From the coalescence temperatures of 328 K for 2b an activation barrier of 16.1(5) kcal mol(-1) can be estimated for the adoption of a planar structure. The insertion of Me3SiC=CH produces a 2.4,6-substitution pattern for 3a, 3b and 5 with the 5-H (beta to two metal centers) being downfield shifted to delta 8.43 (3a), 8.64 (3b) and 9.03 ppm (5). (C) 1998 Elsevier Science Ltd. All rights reserved.