(Et2C2B4H4)(Cp)TaCl2 | 162476-46-2

• 英文名称: (Et2C2B4H4)(Cp)TaCl2
• CAS: 162476-46-2
• 化学式: C₁₁H₁₉B₄Cl₂Ta
• 分子量: 446.37
• InChiKey: JAPVYNPTSGTDAL-FXJSWHOWSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  (Et2C2B4H4)(Cp)TaCl2 、 甲基溴化镁 以 四氢呋喃 、 乙醚 为溶剂， 以91%的产率得到(Et2C2B4H4)(Cp)TaMe2
  参考文献：
  名称：

  Stockman, Kenneth E.; Houseknecht, Karl L.; Boring, Eric A., Organometallics, 1995, vol. 14, # 6, p. 3014 - 3029

  摘要：

  DOI：
• 作为产物：
  描述：

  盐酸 、 以 氘代苯 为溶剂， 生成 (Et2C2B4H4)(Cp)TaCl2
  参考文献：
  名称：

  A hydridotantalum(V)-carborane analogue of Schwartz's reagent: synthesis and reactivity1Organotransition-Metal Metallacarboranes. 49. For part 48, see Ref. [1].12Dedicated to Professor Kenneth Wade on the occasion of his 65th birthday.2

  摘要：

  The dichlorotantalum metallacarborane CpCl2Ta(Et2C2B4H4) (1) on treatment with LiAlH4 in THF gave a hydridotantalum dimer [CpTa(H)(Et2C2B4H4)](2)(mu-Cl)(2) (2), which was found to undergo alkyne insertion with p-tolyl acetylene to generate exclusively trans-CpCl(p-MeC6H4-CH=CH)Ta(Et2C2B4H4) (3); the reaction of the latter complex with anhydrous HCl afforded p-tolylstyrene and 1. In contrast, reaction of 2 with diphenyl acetylene or methyl phenyl acetylene gave hydridotantalum-alkyne complexes, which are apparently the first examples of alkyne pi-coordination to a formal d(0) metal. Treatment of 2 with styrene produced the alkyl-tantalum species CpTaCl(CH2CH2Ph)(Et2C2B4H4) (5), but no reactivity was observed between 2 and the sterically hindered olefins cis-stilbene, trans-stilbene, and cyclohexene. Addition of anhydrous HCl to 5 generates 1 and styrene via an apparent beta-elimination mechanism. (C) 1998 Elsevier Science S.A.

  DOI：

  10.1016/s0022-328x(97)00555-x

文献信息

• Small Carborane Ligands as Tailorable Cp Surrogates. Halogenation, Alkylation, and Arylation at Metal and Cage Positions on CpX₂M(Et₂C₂B₄H₄) Complexes (M = Ta, Nb)¹
  作者：Kenneth E. Stockman、Eric A. Boring、Michal Sabat、M. G. Finn、Russell N. Grimes

  DOI：10.1021/om000090g

  日期：2000.5.1

  the type CpCl2M(2,3-Et2C2B4H4) (M = Ta, Nb) have been further developed via regiospecific halogenation and alkylation at boron vertexes and at the metal center. Treatment of the parent complexes with elemental halogens or N-halosuccinimides generated B(5)-monohalo, B(4,5)-dihalo, and in some cases B(4,5,6)-trihalo complexes; these compounds, in turn, reacted with Grignard reagents to give the corresponding

  通过在硼顶点和硼原子上的区域特异性卤化和烷基化，进一步开发了衍生化CpCl 2 M（2,3-Et 2 C 2 B 4 H 4）（M = Ta，Nb）型三明治复合物的合成方法。金属中心。用元素卤素或N-卤代琥珀酰亚胺处理母体配合物会生成B（5）-单卤代，B（4,5）-二卤代，在某些情况下会生成B（4,5,6）-三卤代配合物；这些化合物又与格利雅试剂反应，得到相应的B-烷基和B-芳基衍生物。同样，异核弯曲的三层复合物Cp * Co（Et 2 C 2 B 3 H 3）Cl用过量的N-溴琥珀酰亚胺处理2 Ta（Et 2 C 2 B 4 H 4），得到B-三溴衍生物7a。通过11 B，1 H和13 C NMR，IR以及质谱和元素分析对新化合物进行表征，并通过对7a进行X射线衍射研究以及对某些配合物进行UV可见和电化学分析来增强这些化合物。
• Alkene and Alkyne Insertion Reactions with Tantalum Metallacarborane Complexes:  the Et₂C₂B₄H₄^2- Carborane Ligand as a Spectator and Participant¹
  作者：Eric Boring、Michal Sabat、M. G. Finn、Russell N. Grimes

  DOI：10.1021/om980242w

  日期：1998.8.1

  The tantalum carborane complex (Et2C2B4H4)CpTaMe2 (1) is thermally stable but undergoes clean photochemical insertion with alkynes to give vinyltantalum species, in contrast to the thermal reactivity of isoelectronic group 4 metallocenes which give methylidene intermediates. Certain tantalum vinyltitanium products display NMR resonances indicative of γ-agostic Ta−H3C interactions sufficiently strong

  钽碳硼烷络合物（Et 2 C 2 B 4 H 4）CpTaMe 2（1）是热稳定的，但与炔烃进行干净的光化学插入以生成乙烯基钽物种，这与生成亚甲基中间体的等电子4族茂金属的热反应性相反。某些钽乙烯基钛产品显示出NMR共振，表明γ-声Ta-H 3 C相互作用足够强以稳定两种不同的区域异构体。这些物质的分解是通过明显的炔烃去插入和钽片段的弹出而发生的，从而得到R 2 Et 2 C 4 B 4。H 4（R = Me，Et，Ph）碳硼烷簇。相似的二苯配合物（Et 2 C 2 B 4 H 4）CpTaPh 2（8）具有热反应性，可消除苯并发生衍生的苯炔中间体与炔烃的捕集反应。所得的金属锡配合物的结构由X射线晶体学，质子分解和光谱学支持。插入具有良好的区域选择性，受空间和立体电子因素控制，这与锆茂和钛茂类似物所观察到的有所不同。配合物8的反应与过量的苯乙烯一起产生一种新颖的三插入方法，其中将苯乙烯单元加到芳基配体的邻位和C
• Houseknecht, Karl L.; Stockman, Kenneth E.; Sabat, Michal, Journal of the American Chemical Society, 1995, vol. 117, # 3, p. 1163 - 1164
  作者：Houseknecht, Karl L.、Stockman, Kenneth E.、Sabat, Michal、Finn、Grimes, Russell N.

  DOI：——

  日期：——