(η(5)-pentamethylcyclopentadienyl)Ta(CH3)(2-(CH2NMe2)C6H4)(NC6H3Me2-2,6) | 207689-88-1

• 英文名称: (η(5)-pentamethylcyclopentadienyl)Ta(CH3)(2-(CH2NMe2)C6H4)(NC6H3Me2-2,6)
• CAS: 207689-88-1
• 化学式: C₂₈H₃₉N₂Ta
• 分子量: 584.579
• InChiKey: PBLKYHRKWYVBHK-UHFFFAOYSA-N

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：

  (η(5)-pentamethylcyclopentadienyl)Ta(CH3)(2-(CH2NMe2)C6H4)(NC6H3Me2-2,6) 、 一氧化碳 以 正己烷 为溶剂， 以80%的产率得到
  参考文献：
  名称：

  烷基亚氨基环戊二烯基铌和钽（V）配合物在插入过程中的化学行为。的X射线晶体结构[MCpCl（NAR）{η 2 -C（Me）的NAr}]（AR = 2,6-ME 2 ç 6 ħ 3 ; M =铌，Cpη 5 -C 5 H ^ 4森达3 ; M =钽，CP =η 5 -C 5我5）和[TA（η 5 -C 5我5）Me（NAR）{η 2 -C（CH 2 CME 2 PH）O}]（ Ar = 2,6-Me 2 C 6 H 3）

  摘要：

  纯酰亚胺η 2个-iminoacyl衍生物[MCPX（NAR）{η 2 -C（R） NAR}]（AR = 2,6-ME 2 ç 6 ħ 3 ; M = Nb的是：Cp =η 5 -C 5 H ^ 4森达3 = CP'，X =氯，R = Me中，1 ; X = Me中，R = NME 2，2 ; Me中，3 ; X = R = CH 2森达3，4 ; CH 2 CME 3，5 ; CH 2 PH，6 ; M =钽，CP =η 5 -C 5我5= Cp *，X = Cl，R = Me，7 ; CH 2森达3，8 ; CH 2 CMe 2 Ph，9；CH 2 CMe 2 Ph，9。CH 2 CME 3，10 ; CH 2 ç 6 ħ 5，11 ; 2-（CH 2 NME 2）C 6 H ^ 4，12 ; NME 2，13 ; X = R = CH 2森达3，14 ; CH 2 CMe 2 Ph，15；CH

  DOI：

  10.1016/s0022-328x(99)00566-5
• 作为产物：
  描述：

  (η(5)-pentamethylcyclopentadienyl)TaCl(Me)(NC6H3Me2-2,6) 、 2-(N,N-dimethylaminomethyl)phenyllithium 以 甲苯 为溶剂， 以60%的产率得到(η(5)-pentamethylcyclopentadienyl)Ta(CH3)(2-(CH2NMe2)C6H4)(NC6H3Me2-2,6)
  参考文献：
  名称：

  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]

  摘要：

  [TaCp*Cl-2{N(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*ClR{N(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-2{N(2,6-Me2C6H3)}],(R = CH2SiMe3, 7; CH2CMe2Ph, 8; C6H5, 9; CH2C6H5, 10; CH2CMe3, 11) were obtained. The mixed alkyl derivatives [TaCp*MeR{N(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*ClMe{N(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.

  DOI：

  10.1016/s0022-328x(97)00724-9