(η(5)-pentamethylcyclopentadienyl)(benzyl)bis(tetrahydrofuran)chromium(III) tetraphenylborate | 162194-44-7

• 英文名称: (η(5)-pentamethylcyclopentadienyl)(benzyl)bis(tetrahydrofuran)chromium(III) tetraphenylborate
• CAS: 162194-44-7
• 化学式: C₂₄H₂₀B*C₂₅H₃₈CrO₂
• 分子量: 741.805
• InChiKey: FTGOONZODODNQD-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：

  2,2'-联吡啶 、 (η(5)-pentamethylcyclopentadienyl)(benzyl)bis(tetrahydrofuran)chromium(III) tetraphenylborate 以 四氢呋喃 为溶剂， 以93%的产率得到(η(5)-pentamethylcyclopentadienyl)(benzyl)(2,2'-bipyridine)chromium(III) tetraphenylborate
  参考文献：
  名称：

  Paramagnetic (Benzyl)chromium Complexes as Homogeneous Ethylene Polymerization Catalysts

  摘要：

  The (benzyl)chromium(III) complexes [Cp*Cr(Bz)(mu-Cl)](2) (1), Cp*Cr(py)(Bz)(2) (2), Cp*Cr-(THF)(Bz)(2) (3), [Cp*Cr(THF)(2)Bz]BPh(4) (4), [Cp*Cr(bpy)Bz]BPh(4) (5), Li[Cp*Cr(Bz)(3)] (6), and [Li(TMEDA)(2)][Cp*Cr(Bz)(3)] (7) have been prepared. Reaction of 5 with strong bases ((t)BuLi or LiN(TMS)2) yielded Cp*Cr(bpy)Bz (8), the product of a reduction. The same complex was also produced by treatment of 2 or 3 with 2,2'-bipyridyl (bpy). The crystal structures of 1 (monoclinic, C2/c, a = 14.960(4) Angstrom, b = 16.803(5) Angstrom, c = 13.662(6) Angstrom, beta = 110.4(3)degrees, Z = 4), 2 (monoclinic, P2(1)/n, a = 9.345(3) Angstrom, b = 16.923(5) Angstrom, c = 16.161(5) Angstrom, beta = 104.36(2)degrees, Z = 4) 6 (monoclinic, P2(1)/n, a = 11.125(2) Angstrom, b = 15.287(3) Angstrom, c = 15.410(4) Angstrom, beta = 94.11(2)degrees, Z = 4), and 8 (triclinic , P1, alpha = 9.056(3) Angstrom, b = 15.287(6) Angstrom, c = 11.602(4)Angstrom, alpha - 73.56(3)degrees, beta = 88.47(5)degrees, gamma = 79.35(3)degrees, Z = 4) have been determined by X-ray diffraction. H-2 NMR spectroscopy was used to characterize complexes with perdeuteriated benzyl ligands; signal narrowing factors (W(H-1)/W(H-2)) ranged from 12 to 36. Neutral 3, cationic 4, and anionic 6 catalyzed the polymerization of ethylene.

  DOI：

  10.1021/om00002a023
• 作为产物：
  描述：

  (η(5)-pentamethylcyclopentadienyl)bis(benzyl)(tetrahydrofuran)chromium(III) 、 triethylammonium tetraphenylborate 以 四氢呋喃 为溶剂， 以89%的产率得到(η(5)-pentamethylcyclopentadienyl)(benzyl)bis(tetrahydrofuran)chromium(III) tetraphenylborate
  参考文献：
  名称：

  Paramagnetic (Benzyl)chromium Complexes as Homogeneous Ethylene Polymerization Catalysts

  摘要：

  The (benzyl)chromium(III) complexes [Cp*Cr(Bz)(mu-Cl)](2) (1), Cp*Cr(py)(Bz)(2) (2), Cp*Cr-(THF)(Bz)(2) (3), [Cp*Cr(THF)(2)Bz]BPh(4) (4), [Cp*Cr(bpy)Bz]BPh(4) (5), Li[Cp*Cr(Bz)(3)] (6), and [Li(TMEDA)(2)][Cp*Cr(Bz)(3)] (7) have been prepared. Reaction of 5 with strong bases ((t)BuLi or LiN(TMS)2) yielded Cp*Cr(bpy)Bz (8), the product of a reduction. The same complex was also produced by treatment of 2 or 3 with 2,2'-bipyridyl (bpy). The crystal structures of 1 (monoclinic, C2/c, a = 14.960(4) Angstrom, b = 16.803(5) Angstrom, c = 13.662(6) Angstrom, beta = 110.4(3)degrees, Z = 4), 2 (monoclinic, P2(1)/n, a = 9.345(3) Angstrom, b = 16.923(5) Angstrom, c = 16.161(5) Angstrom, beta = 104.36(2)degrees, Z = 4) 6 (monoclinic, P2(1)/n, a = 11.125(2) Angstrom, b = 15.287(3) Angstrom, c = 15.410(4) Angstrom, beta = 94.11(2)degrees, Z = 4), and 8 (triclinic , P1, alpha = 9.056(3) Angstrom, b = 15.287(6) Angstrom, c = 11.602(4)Angstrom, alpha - 73.56(3)degrees, beta = 88.47(5)degrees, gamma = 79.35(3)degrees, Z = 4) have been determined by X-ray diffraction. H-2 NMR spectroscopy was used to characterize complexes with perdeuteriated benzyl ligands; signal narrowing factors (W(H-1)/W(H-2)) ranged from 12 to 36. Neutral 3, cationic 4, and anionic 6 catalyzed the polymerization of ethylene.

  DOI：

  10.1021/om00002a023