TaCl(η(5)-C5Me5)(N(2,6-Me2C6H3))(η(2)-C(n-Pr)=N(2,6-Me2C6H3)) | 212568-93-9

• 英文名称: TaCl(η(5)-C5Me5)(N(2,6-Me2C6H3))(η(2)-C(n-Pr)=N(2,6-Me2C6H3))
• CAS: 212568-93-9
• 化学式: C₃₀H₄₀ClN₂Ta
• 分子量: 645.062
• InChiKey: BLMXYDYBPRYWCB-UHFFFAOYSA-M

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

• 作为产物：
  描述：

  (η(5)-pentamethylcyclopentadienyl)TaCl2(NC6H3Me2-2,6) 、 2,6-二甲基苯基异腈 、 丙基氯化镁 以 甲苯 为溶剂， 以89%的产率得到TaCl(η(5)-C5Me5)(N(2,6-Me2C6H3))(η(2)-C(n-Pr)=N(2,6-Me2C6H3))
  参考文献：
  名称：

  β-Elimination and insertion of CNR in transient pentamethylcyclopentadienyl-imido-tantalum dialkyl complexes. X-ray structure of [TaCp*{N(2,6-Me2C6H3)}(CH2CH2)(PMe3)]

  摘要：

  The transient dialkyl complexes [TaCp*R-2(NAr)] (Cp* = C5Me5; R = Et, n-Pr; Ar = 2,6-Me2C6H3), obtained by alkylation of [TaCp*Cl-2(NAr)] with two equiv. of RMgCl in diethylether at low temperature, react with one equiv. of PMe3 to give [TaCp*(NAr)(CH2=CHR)(PMe3)] (R=H1, Me2) after beta-elimination and reductive elimination of alkane. When the same alkylation is carried out and then one equiv. of CN(2,6-Me2C6H3) is added after heating to room temperature, the alkyl iminoacyl insertion products [TaCp*R{eta(2)-CR=N(Ar)}(NAr)] (R=Et3, n-Pr4) are obtained. However when alkylation with one equiv. of MgClR (R=Et, n-Pr, i-Pr) is carried out at ambient temperature after the addition of CN(2,6-Me2C6H3), the chloro iminoacyl complexes [TaCp*Cl{eta(2)-CR=NAr)}(NAr)] (R=Et 5, n-Pr 6, i-Pr 7) are isolated. The structure of [TaCp*(NAr)(CH2=CH2) (PMe3)] (1) has been determined by X-ray diffraction methods. (C) 1998 Elsevier Science Ireland Ltd. All rights reserved.

  DOI：

  10.1016/s0022-328x(98)00570-1