(η(5)-pentamethylcyclopentadienyl)TaCl(Me)(NC6H3Me2-2,6) | 180386-43-0

• 英文名称: (η(5)-pentamethylcyclopentadienyl)TaCl(Me)(NC6H3Me2-2,6)
• 英文别名: [Nb(η(5)-C5Me5)ClMe(N-2,6-Me2C6H3)]
• CAS: 180386-43-0
• 化学式: C₁₉H₂₇ClNTa
• 分子量: 485.831
• InChiKey: XWOQRMOOBNERLQ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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)-pentamethylcyclopentadienyl)TaCl(Me)(NC6H3Me2-2,6) 、 lithium dimethylamide 以 正己烷 为溶剂， 以70%的产率得到
  参考文献：
  名称：

  半三明治二氯，烷基氯，二烷基，烷基甲基和酰胺基甲基亚氨基环戊二烯基铌和钽（V）配合物。酰胺基亚胺基钽衍生物的动力学行为

  摘要：

  的NbCp'Cl反应4（CP'=η 5 -C 5 H ^ 4森达3）和TACP *氯2我2（CP * =η 5 -C 5我5）与NHR两个当量1森达3和两个当量CNR 1的摩尔数（M = Nb，R 1 = 2,6-Me 2 C 6 H 3 ; 2,6- i Pr 2 C 6 H 3 ; SiMe 3 ; M = Ta，R 1 = 2,6-Me 2 C 6高3），分别得到二氯亚氨基衍生物[ MCpCl 2（NR 1）]（M =铌，CP = CP'，R 1 = 2,6--ME 2 ç 6 ħ 3，1 ; 2,6-我镨2 ç 6 ħ 3，2 ;森达3，3 ; M =钽，CP =的Cp *，4）。烷基氯亚氨基配合物[ MCpClR（NR 1）]，（R 1 = 2,6-Me 2 C 6 H 3 ; M = Nb，Cp = Cp'，R = Me，5; Cp *，6 ; M = Ta，Cp = Cp *，R

  DOI：

  10.1016/s0022-328x(98)01142-5
• 作为产物：
  描述：

  盐酸 、 (pentamethylcyclopentadienyl)TaMe(N(2,6-Me2C6H3))(η(1)-N(2,6-Me2C6H3)C(Me)=CMe2) 以 乙醚 、 甲苯 为溶剂， 以87%的产率得到(η(5)-pentamethylcyclopentadienyl)TaCl(Me)(NC6H3Me2-2,6)
  参考文献：
  名称：

  将CO和CNR插入亚氨基（五甲基环戊二烯基）钽配合物的钽甲基键中。X射线晶体的[TACP *（NR）我{η结构2 -C（Me）的NR}]和[TACP *氯（O）{η 2 -C（Me）的NR}]（R = 2,6- Me 2 C 6 H 3）†

  摘要：

  [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

  DOI：

  10.1021/om9602015

文献信息

• Alkyl chloro, dialkyl and mixed alkyl derivatives of imido(pentamethylcyclopentadienyl) tantalum(V). X-ray crystal structure of [TaCp*Cp′Cl{N(2,6-Me2C6H3)}], (Cp′=η5-C5H4SiMe3]
  作者：Aurora Castro、Mikhail V Galakhov、Manuel Gómez、Pilar Gómez-Sal、Avelino Martı́n、Pascual Royo

  DOI：10.1016/s0022-328x(97)00724-9

  日期：1998.3

  [TaCp*Cl-2N(2,6-Me2C6H3)}] (Cp* = eta(5)-C5Me5) reacts with one equivalent of LiR (R = CH2SiMe3, CH2CMe2Ph, CH2CMe3, 2-(CH2NMe2)C6H4, C5H4SiMe3) or 0.5 equivalents of Mg(CH2C6H5)(2)(THF)(2) to give the alkyl chloro complexes [TaCp*ClRN(2,6-Me2C6H3)}],(R = CH2SiMe3, 1; CH2CMe2Ph, 2; CH2CMe3, 3; CH2C6H5, 4; 2-(CH2NMe2)C6H4, 5; C5H4SiMe3, 6). When the same reaction was carried out with two equivalents of lithium or one equivalent of magnesium reagent, the corresponding dialkyl derivatives [TaCp*R-2N(2,6-Me2C6H3)}],(R = CH2SiMe3, 7; CH2CMe2Ph, 8; C6H5, 9; CH2C6H5, 10; CH2CMe3, 11) were obtained. The mixed alkyl derivatives [TaCp*MeRN(2,6-Me2C6H3)}],(R = CH2SiMe3, 12; CH2CMe2Ph, 13; C6H5, 14; CH2CMe3, 15; 2-(CH2NMe2)C6H4, 16; CH2C6H5, 17; C5H4SiMe3, 18) have been prepared by treatment of solutions containing [TaCp*ClMeN(2,6-Me2C6H3)}] with one equivalent of lithium or 0.5 equivalents of magnesium reagent. All the new complexes were characterized by the usual IR and NMR spectroscopic methods. The crystal structure of 6 was determined by X-ray diffraction studies. Crystals of 6 are monoclinic, space group P2(1)/c, with Z = 4 in a unit cell of dimensions a = 12.597(3), b = 11.338(2), c = 18.297(4) Angstrom and beta = 96.53(3)degrees. The structure was solved from diffractometer data by a combination of direct and Fourier methods and refined by full-matrix least squares fit on the basis of 4846 observed reflections to R-1 and wR(2) values of 0.0224 and 0.0574, respectively. (C) 1998 Elsevier Science S.A. All rights reserved.