[TaCl3(diphenylacetylene)(1,2-dimethoxyethane)] | 500783-19-7

• 英文名称: [TaCl3(diphenylacetylene)(1,2-dimethoxyethane)]
• 英文别名: [Ta(η2-PhCCPh)Cl3(MeOC2H4OMe)]；[TaCl3(diphenylacetylene)(DME)]
• CAS: 500783-19-7
• 化学式: C₁₈H₂₀Cl₃O₂Ta
• 分子量: 555.662
• InChiKey: JPZYIZQRSXRDAL-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：

  吡啶 、 [TaCl3(diphenylacetylene)(1,2-dimethoxyethane)] 以 甲苯 为溶剂， 以36%的产率得到[TaCl3(diphenylacetylene)(pyridine)2]
  参考文献：
  名称：

  Preparation, Structural Characterization, and Reactions of Tantalum-Alkyne Complexes TaCl₃(R¹C⋮CR²)L₂ (L₂ = DME, Bipy, and TMEDA; L = Py)

  摘要：

  Tantalum-alkyne complexes with the general formula TaCl3(R(1)CdropCR(2))(dme) (1a, R-1 = R-2 = Et; 1b, R-1 = R-2 = n-C5H11; 1c, R-1 = Ph, R-2 = Me; 1d, R-1 = R-2 = Ph; DME = 1,2-dimethoxyethane) were synthesized by treatment of the corresponding alkynes with a low-valent tantalum derived by reduction of tantalum pentachloride with zinc powder in a mixed solvent of toluene and DME. The DME ligand can be replaced by 2 equiv of pyridine to afford the corresponding dipyridine complexes TaCl3(R(1)CdropCR(2))(py)(2) (2a, R-1 = R-2 = Et; 2b, R-1 = R-2 = n-C5H11; 2c, R-1 = Ph, R-2 = Me; 2d, R-1 = R-2 = Ph). Additionally, the reaction of 1a with the bidentate nitrogen ligands bipyridine and N,N,N',N'-tetramethyethylenediamine (= TMEDA) gave TaCl3(EtCdropCEt)(bipy) (3) and TaCl3(EtCdropCEt)(tmeda) (4), respectively. The eta(2)- and 4e-coordination mode of an alkyne with a large contribution of a metalacyclopropene canonical structure was revealed by spectroscopic methods (NMR and IR) and crystallographic analyses of 1a, 1c, 2a, and 4. The reactivies of the tantalum-3-hexyne complexes la, 2a, 3, and 4 toward 3-phenylpropanal were investigated. Only the pyridine complex 2a reacted with a stoichiometric amount of the aldehyde to afford the corresponding allylic alcohol in 77% yield upon hydrolysis. The reaction proceeded via an oxatantalacyclopentene species.

  DOI：

  10.1021/om020510x
• 作为产物：
  描述：

  [TaCl3(1-trimethylsilyl-1-propyne)(1,2-dimethoxyethane)] 、 二苯基乙炔 以 氘代苯 为溶剂， 生成 [TaCl3(diphenylacetylene)(1,2-dimethoxyethane)]
  参考文献：
  名称：

  钽甲硅烷基炔配合物的炔交换反应：机理研究及其在制备具有功能性炔的新型钽配合物中的应用（PhC⋮CR（R = COOMe，CONMe 2））

  摘要：

  钽的硅烷基炔配合物，通式为TaCl 3（R 1 C⋮CR 2）L 2（1，R 1 = R 2 = SiMe 3，L 2 = DME; 2，R 1 = SiMe 3，R 2 = Me， L 2＝ DME；6，R 1＝ R 2＝ SiMe 3，L ＝ py；7，R 1＝ SiMe 3，R 2。= Me，L = py）与内部炔烃反应，通过炔烃交换反应生成相应的炔烃配合物。这些甲硅烷基炔配合物是新制备的，并在结构上进行了表征。动力学测量表明，DME配合物1和2的交换反应速率主要取决于配合物的浓度，反应通过解离途径进行。双（吡啶）配合物6和7的交换反应速率较慢。与DME配合物相反，6的交换反应通过缔合交换途径进行，而7的交换机理是一个关联的途径。在交换过程中，两个吡啶配体强烈地与钽中心配位，并且该中间体被提议为双（炔）配合物。通过甲炔交换反应，由甲硅烷基炔配合物制备具有功能性炔的新型钽配合物（PhC⋮CR（R

  DOI：

  10.1021/om060659z

文献信息

• Organometallic Tantalum Tris(methimazolyl)borato Complexes:  [Ta(η²-RC⋮CR)Cl₂{HB(mt)₃}] (R = Ph, Et; mt = methimazolyl)
  作者：Anthony F. Hill、Matthew K. Smith

  DOI：10.1021/om700615w

  日期：2007.8.1

  The reactions of Na[HB(mt)(3)] (mt = methimazolyl) with [Ta(eta(2)-RCCR)Cl-3(dme)] (R = Ph, Et) provide the structurally characterized complexes [Ta(eta(2)-RCCR)Cl-2HB(mt)(3)}], the first examples of organometallic tris(methimazolyl)borato derivatives of group 5. The intrinsic chirality of the HB(mt)(3) ligand is expressed in a skewing of the alkyne orientation.