bis(2-(3,3-dimethylpent-4-enyl)-4,6-diisopropylphenylimido)dichloro(DME)molybdenum(VI) | 1064687-23-5

• 英文名称: bis(2-(3,3-dimethylpent-4-enyl)-4,6-diisopropylphenylimido)dichloro(DME)molybdenum(VI)
• CAS: 1064687-23-5
• 化学式: C₄₂H₆₈Cl₂MoN₂O₂
• 分子量: 799.86
• InChiKey: ZTILGTSEJBBTRF-UHFFFAOYSA-L

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：
  None
• 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：

  bis(2-(3,3-dimethylpent-4-enyl)-4,6-diisopropylphenylimido)dichloro(DME)molybdenum(VI) 、 (2,2-二甲基丙基)锂 以 乙醚 为溶剂， 以98%的产率得到Mo(2-(3,3-dimethylpent-4-enyl)-4,6-diisopropylphenylimido)2(neopentyl)2
  参考文献：
  名称：

  Synthesis, Properties, and Structure of Tethered Molybdenum Alkylidenes

  摘要：

  A new class of molybdenum alkylidenes has been prepared where the alkylidene is tethered to an imido ancillary ligand. The amine required for the synthesis is accessible in 38% yield in live steps from 1,3-diisopropylbenzene. The amine is then installed to generate the tethered alkylidene bis(triflate) complex, which was structurally characterized as its DME adduct. The triflates are replaced by hexafluoro-tert-butoxide groups using the thallium salt of the alkoxide, and the bis(alkoxide) was characterized as its quinuclidine adduct. For comparison, an alkylidene bis(alkoxide) was prepared without the tether and having a formula similar to that of the tethered system. The structures from X-ray diffraction and NMR spectroscopy of the two complexes with and without the tether but with similar formulas are compared. The tether has the apparent effect, judging from J(CH) couplings in the alkylidene and angles in the solid-state structure, of reducing the strength of the alpha-agostic interaction. Four complexes were structurally characterized during this study: Mo[=N-2,4-(Pr2C6H2)-C-i-2-CH2CH2CMe2CH=](DME)(OTf)(2), Mo(OBuF6t)(2)(quin)-[=N-2,4-(Pr2C6H2)-C-i-2-CH2CH2CMe2CH=], Mo[N(2,4-Pr-2(i)-6-MeC6H2)](2)(neopentyl)(2), and Mo(OBuF6t)(2)(quin)-[N(2,4-Pr-2(i)-6-MeC6H2)] [=C(H)Bu-t].

  DOI：

  10.1021/om800650v
• 作为产物：
  描述：

  三甲基氯硅烷 、 乙二醇二甲醚 、 ammonium molybdate 、 2-(3,3-dimethylpent-4-enyl)-4,6-diisopropylaniline 在 triethylamine 作用下， 以 乙二醇二甲醚 为溶剂， 以60%的产率得到bis(2-(3,3-dimethylpent-4-enyl)-4,6-diisopropylphenylimido)dichloro(DME)molybdenum(VI)
  参考文献：
  名称：

  Synthesis, Properties, and Structure of Tethered Molybdenum Alkylidenes

  摘要：

  A new class of molybdenum alkylidenes has been prepared where the alkylidene is tethered to an imido ancillary ligand. The amine required for the synthesis is accessible in 38% yield in live steps from 1,3-diisopropylbenzene. The amine is then installed to generate the tethered alkylidene bis(triflate) complex, which was structurally characterized as its DME adduct. The triflates are replaced by hexafluoro-tert-butoxide groups using the thallium salt of the alkoxide, and the bis(alkoxide) was characterized as its quinuclidine adduct. For comparison, an alkylidene bis(alkoxide) was prepared without the tether and having a formula similar to that of the tethered system. The structures from X-ray diffraction and NMR spectroscopy of the two complexes with and without the tether but with similar formulas are compared. The tether has the apparent effect, judging from J(CH) couplings in the alkylidene and angles in the solid-state structure, of reducing the strength of the alpha-agostic interaction. Four complexes were structurally characterized during this study: Mo[=N-2,4-(Pr2C6H2)-C-i-2-CH2CH2CMe2CH=](DME)(OTf)(2), Mo(OBuF6t)(2)(quin)-[=N-2,4-(Pr2C6H2)-C-i-2-CH2CH2CMe2CH=], Mo[N(2,4-Pr-2(i)-6-MeC6H2)](2)(neopentyl)(2), and Mo(OBuF6t)(2)(quin)-[N(2,4-Pr-2(i)-6-MeC6H2)] [=C(H)Bu-t].

  DOI：

  10.1021/om800650v