[(C5Me4H)2Y][(μ-Ph)2BPh2] | 1234504-07-4

• 英文名称: [(C5Me4H)2Y][(μ-Ph)2BPh2]
• 英文别名: (C5Me4H)2Y(μ-Ph)2BPh2
• CAS: 1234504-07-4
• 化学式: C₄₂H₄₆BY
• 分子量: 650.544
• InChiKey: LAAOXIYCPSBHRD-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：

  [(C5Me4H)2Y][(μ-Ph)2BPh2] 、 双(三甲基硅烷基)氨基钾 以 甲苯 为溶剂， 以92%的产率得到(C5Me4H)2Y[N(SiMe3)2]
  参考文献：
  名称：

  Synthesis and Reactivity of Bis(tetramethylcyclopentadienyl) Yttrium Metallocenes Including the Reduction of Me₃SiN₃ to [(Me₃Si)₂N]⁻ with [(C₅Me₄H)₂Y(THF)]₂(μ-η²:η²-N₂)

  摘要：

  The metallocene precursors needed to provide the tetramethylcyclopentadienyl yttrium complexes (C5Me4H)(3)Y, [(C5Me4H)(2)Y(THF)](2)(mu-eta(2):eta(2)-N-2), and [(C5Me4H)(2)Y(mu-H)](2) for reactivity studies have been synthesized and fully characterized, and their reaction chemistry has led to an unexpected conversion of an azide to an amide. (C5Me4H)(2)Y-(mu-Cl)(2)K(THF)(x), 1, synthesized from YCl3 and KC5Me4H reacts with allylmagnesium chloride to make (C5Me4H)(2)Y-(eta(3)-C3H5), 2, which is converted to [(C5Me4H)(2)Y][(mu-Ph)(2)BPh2], 3, with [Et3NH][BPh4]. Complex 3 reacts with KC5Me4H to form (C5Me4H)(3)Y, 4. The reduced dinitrogen complex, [(C5Me4H)(2)Y(THF)](2)(mu-eta(2):eta(2)-N-2), 5, can be synthesized from either [(C5Me4H)(2)Y](2)[(mu-Ph)(2)BPh2], 3, or (C5Me4H)(3)Y, 4, with potassium graphite under a dinitrogen atmosphere. The N-15 labeled analogue, [(C5Me4H)(2)Y(THF)](2)(mu-eta(2):eta(2)-N-15(2)), 5-N-15, has also been prepared, and the N-15 NMR data have been compared to previously characterized reduced dinitrogen complexes. Complex 2 reacts with H-2 to form the corresponding hydride, [(C5Me4H)(2)Y(mu-H)](2), 6. Complex 5 displays similar reactivity to that of the analogous [(C5Me4H)(2)Ln(THF)](2)(mu-eta(2):eta(2)-N-2) complexes (Ln = La, Lu), with substrates such as phenazine, anthracene, and CO2. In addition, 5 reduces Me3SiN3 to form (C5Me4H)(2)Y[N(SiMe3)(2)], 7.

  DOI：

  10.1021/ic100682d
• 作为产物：
  描述：

  [(tetramethylcyclopentadienyl)2Y(η3-allyl)] 、 triethylammonium tetraphenylborate 以 甲苯 为溶剂， 以67%的产率得到[(C5Me4H)2Y][(μ-Ph)2BPh2]
  参考文献：
  名称：

  Synthesis and Reactivity of Bis(tetramethylcyclopentadienyl) Yttrium Metallocenes Including the Reduction of Me₃SiN₃ to [(Me₃Si)₂N]⁻ with [(C₅Me₄H)₂Y(THF)]₂(μ-η²:η²-N₂)

  摘要：

  The metallocene precursors needed to provide the tetramethylcyclopentadienyl yttrium complexes (C5Me4H)(3)Y, [(C5Me4H)(2)Y(THF)](2)(mu-eta(2):eta(2)-N-2), and [(C5Me4H)(2)Y(mu-H)](2) for reactivity studies have been synthesized and fully characterized, and their reaction chemistry has led to an unexpected conversion of an azide to an amide. (C5Me4H)(2)Y-(mu-Cl)(2)K(THF)(x), 1, synthesized from YCl3 and KC5Me4H reacts with allylmagnesium chloride to make (C5Me4H)(2)Y-(eta(3)-C3H5), 2, which is converted to [(C5Me4H)(2)Y][(mu-Ph)(2)BPh2], 3, with [Et3NH][BPh4]. Complex 3 reacts with KC5Me4H to form (C5Me4H)(3)Y, 4. The reduced dinitrogen complex, [(C5Me4H)(2)Y(THF)](2)(mu-eta(2):eta(2)-N-2), 5, can be synthesized from either [(C5Me4H)(2)Y](2)[(mu-Ph)(2)BPh2], 3, or (C5Me4H)(3)Y, 4, with potassium graphite under a dinitrogen atmosphere. The N-15 labeled analogue, [(C5Me4H)(2)Y(THF)](2)(mu-eta(2):eta(2)-N-15(2)), 5-N-15, has also been prepared, and the N-15 NMR data have been compared to previously characterized reduced dinitrogen complexes. Complex 2 reacts with H-2 to form the corresponding hydride, [(C5Me4H)(2)Y(mu-H)](2), 6. Complex 5 displays similar reactivity to that of the analogous [(C5Me4H)(2)Ln(THF)](2)(mu-eta(2):eta(2)-N-2) complexes (Ln = La, Lu), with substrates such as phenazine, anthracene, and CO2. In addition, 5 reduces Me3SiN3 to form (C5Me4H)(2)Y[N(SiMe3)(2)], 7.

  DOI：

  10.1021/ic100682d

文献信息

• Scandium and yttrium metallocene borohydride complexes: comparisons of (BH4)1−vs. (BPh4)1− coordination and reactivity
  作者：Selvan Demir、Nathan A. Siladke、Joseph W. Ziller、William J. Evans

  DOI：10.1039/c2dt30861d

  日期：——

  3], 8. Structural information was also obtained on the borohydride derivatives, (C5Me4H)2Sc(μ-H)2BC8H14, 9, and (C5Me5)2Sc(μ-H)2BC8H14, 10, obtained from 9-borabicyclo(3.3.1)nonane (9-BBN) and (C5Me4R)2Sc(η3-C3H5), where R = H, 11; Me, 12. The preference of the metals for borohydride over tetraphenylborate binding was shown by the facile displacement of (BPh4)1− in 3, 4, 7, and 8 by (BH4)1− to make

  研究了可合成获得的硼氢化物配合物（C 5 Me 4 H）2 Ln（THF）（BH 4）和（C 5 Me 5）2 Ln（THF）（BH 4）（Ln = Sc，Y）作为前体的替代物在LnA 2 A'/ M还原反应中使用的大量使用的四苯基硼酸酯类似物[（C 5 Me 4 H）2 Ln] [BPh 4 ]和[（C 5 Me 5）2 Ln] [BPh 4 ] =阴离子； M =碱金属），生成“ LnA 2”反应性和降低的形式配合物二氮[（C 5 - [R 5）2（THF）X LN] 2（μ-η 2：η 2 -N 2）（X = 0，1）。硼氢化钇（C 5 Me 4 H）2 Y（THF）（μ-H）3 BH，1和（C 5 Me 5）2 Y（THF）（μ-H）2 BH 2的晶体结构，2，确定为与那些钇四苯基硼酸盐的，[（C比较5我4 H） 2 Y] [（（μ-Ph） 2 BPh 2 ]， 3和[（C 5 Me