dichloro(pentamethylcyclopentadienyl)dimethyltantalum(V) | 146026-31-5

• 英文名称: dichloro(pentamethylcyclopentadienyl)dimethyltantalum(V)
• 英文别名: (pentamethylcyclopentadienyl)dichlorodimethyltantalum；(η5-pentamethylcyclopentadienyl)TaCl2Me2；[Ta(C5Me5)Me2Cl2]
• CAS: 146026-31-5
• 化学式: C₁₂H₂₁Cl₂Ta
• 分子量: 417.153
• InChiKey: GHYCHYDFBSEDKY-UHFFFAOYSA-L

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：

  dichloro(pentamethylcyclopentadienyl)dimethyltantalum(V) 在 hydrogen 作用下， 以 甲苯 为溶剂， 以50%的产率得到(η(5)-C5Me5)2Ta2(μ-H)2Cl4
  参考文献：
  名称：

  双核氢化钽配合物

  摘要：

  环戊二烯基钽烯烃或二新戊基配合物与分子氢反应生成双核氢化物配合物，(Ta(eta/sup 5/-C/sub 5/Me/sub 4/R)Cl/sub 2/H)/sub 2/(R =我或 Et）。二聚氢化物配合物与烷基化剂反应以产生单烷基衍生物（烷基=Me、Et、CH/sub 2/CMe/sub 3/，或CH/sub 2/SiMe/sub 3/）。Ta/sub 2/(eta/sup 5/-CMe/sub 4/Et)/sub 2/Cl/sub 3/H/sub 2/(Me) 在单斜空间群 P2/sub 1//c 中结晶a = 20.084 (6) 埃，b = 16.972 (4) 埃，c = 15.869 (4) 埃，以及 ..beta.. = 96.86 (2)/sup 0/。对于具有 /sup 2/THETA/sub MoK 的 6542 次吸收校正反射，该结构通过全矩阵最小二乘法求解为 R/sub

  DOI：

  10.1021/ja00375a023

文献信息

• (Alkyl)‐ and (Alkyl)(alkylidene)(pentamethylcyclopentadienyl)tantalum Complexes
  作者：Mikhail V. Galakhov、Manuel Gómez、Pilar Gómez‐Sal、Patricia Velasco

  DOI：10.1002/ejic.200600173

  日期：2006.11

  Alkylation of [TaCp*Cl 4 ] (Cp' = η 5 -C 5 Me 5 ) with 3 equiv. of MgCl(CH 2 SiMe 3 ) gives the chloridotris(trimethylsilylmethyl) complex [TaCp*Cl(CH 2 SiMe 3 ) 3 ] (1). TaCp*Cl 2 Me 2 reacts with 2 equiv. of LiR (R = CH 2 Ph, CH 2 SiMe 3 ) to give the mixed alkyl derivatives [TaCp*Me 2 R 2 ] (R = CH 2 Ph, 2; CH 2 SiMe 3 , 3). The dimethyldineopentyl complex [TaCp*Me 2 (CH 2 -CMe 3 ) 2 ] (4) was obtained by

  [TaCp*Cl 4 ] (Cp' = η 5 -C 5 Me 5 ) 与 3 当量的烷基化。MgCl(CH 2 SiMe 3 ) 生成氯化三(三甲基甲硅烷基甲基) 络合物 [TaCp*Cl(CH 2 SiMe 3 ) 3 ] (1)。TaCp*Cl 2 Me 2 与 2 当量反应。LiR (R = CH 2 Ph, CH 2 SiMe 3 ) 得到混合烷基衍生物 [TaCp*Me 2 R 2 ] (R = CH 2 Ph, 2; CH 2 SiMe 3, 3)。二甲基二新戊基配合物[TaCp*Me 2 (CH 2 -CMe 3 ) 2 ] (4) 是通过TaCp*Cl 2 -(CH 2 CMe 3 ) 2 与2当量的反应获得的。LiMe 的。用2当量处理TaCp*Cl 2 Me 2 的甲苯溶液。在标准真空管线中吸收新锂得到三种化合物的混合物，[(TaCp*Me 2 (CH 2 CMe 2
• Insertion of CO and CNR into Tantalum−Methyl Bonds of Imido(pentamethylcyclopentadienyl)tantalum Complexes. X-ray Crystal Structures of [TaCp*(NR)Me{η²-C(Me)NR}] and [TaCp*Cl(O){η²-C(Me)NR}] (R = 2,6-Me₂C₆H₃)
  作者：Manuel Gómez、Pilar Gómez-Sal、Gerardo Jiménez、Avelino Martín、Pascual Royo、Javier Sánchez-Nieves

  DOI：10.1021/om9602015

  日期：1996.8.6

  reacts with CO to give the dinuclear ene diolate complex [TaCp*N(2,6-Me2C6H3)Me}]2μ-η2-OC(Me)C(Me)O} (5) via intermolecular coupling between two acyl carbon atoms of the intermediate η2-acyl complex TaCp*MeN(2,6-Me2C6H3)}η2-C(Me)O} (4). However, when the same reaction was carried out with the chloro imido methyl derivative 2, the unexpected oxo η2-iminoacyl complex [TaCp*Cl(O)η2-C(Me)N(2,6-Me2C6H3)}]

  [TACP * Cl 2 N（2,6-Me 2 C 6 H 3）}]在-78°C下与2当量的LiMe反应，得到亚氨基二甲基络合物TACP * Me 2 N（2,6-Me 2 C 6 H 3）}（1）几乎是定量的，而单甲基亚氨基衍生物[TACP * MeX N（2,6-Me 2 C 6 H 3）}]（X = Cl（2），OC 6 H 3 Me 2（3））可通过添加HX（X = Cl，OC 6 H 3 Me 2）除去[TACP * Me（NR）NR（CMe CMe 2）}]的甲苯溶液（R = 2,6-Me 2 C 6 H 3），并消除了相应的亚胺RN CMeCHMe 2。复杂1起反应用CO，得到双核烯二醇盐络合物[TACP * N（2,6-ME 2 ç 6 ħ 3）Me}] 2 μ-η 2 -OC（Me）的C（我）O}（5）经由中间η两个酰基碳原子之间的分子间联接2 -酰基复合TACP
• Galakhov, Mikhail V.; Gómez, Manuel; Jiménez, Gerardo, Organometallics, 1995, vol. 14, # 4, p. 1901 - 1910
  作者：Galakhov, Mikhail V.、Gómez, Manuel、Jiménez, Gerardo、Royo, Pascual、Pellinghelli, Maria Angela、Tiripicchio, Antonio

  DOI：——

  日期：——
• Insertion of CNAr into Ta-Me Bonds of TaCp*ClnMe4-n (n = 0-3): Intramolecular Rearrangements, Dynamic Behavior, and X-ray Crystal Structure of TaCp*Cl2(NAr) (Ar = 2,6-Me2C6H3)
  作者：Mikhail V. Galakhov、Manuel Gomez、Gerardo Jimenez、Maria Angela Pellinghelli、Pascual Royo、Antonio Tiripicchio

  DOI：10.1021/om00017a010

  日期：1994.5

  The dimethyltantalum complex TaCp*Cl2-Me2 (Cp* = eta5-C5Me5) reacts readily with isocyanide, CNAr (Ar = 2,6-Me2C6H3), to form the azatantalacyclopropane derivative TaCp*Cl2(eta2-NAr-CMe2) (1), which can be alkylated with 2 equiv of LiMe to give the dimethyl complex TaCp*Me2(eta2-NAr-CMe2) (2). Reaction of 1 and 2 with an additional 1 equiv of isocyanide leads to the imido complexes TaCp*Cl2(NAr) (3) and TaCp*Me(NAr-CMe=CMe2)(NAr) (5), respectively. Complex 5 is also obtained by reaction of TaCp*Me4 with 2 equiv of isocyanide, and the same reaction with TaCp*ClMe3 leads to TaCp*Cl(NAr-CMe=CMe2)(NAr) (4). The complexes have been characterized by NMR studies (H-1, C-13, and C-13 CP MAS), and the crystal structure of complex 3 has been determined by X-ray diffraction methods. The dynamic behavior of complexes 1, 2, 4, and 5 has been studied in solution, and kinetic parameters were calculated from H-1 DNMR data.
• Galakhov, Mikhail V.; Gómez, Manuel; Jiménez, Gerardo, Organometallics, 1995, vol. 14, # 6, p. 2843 - 2854
  作者：Galakhov, Mikhail V.、Gómez, Manuel、Jiménez, Gerardo、Royo, Pascual、Pellinghelli, Maria Angela、Tiripicchio, Antonio

  DOI：——

  日期：——