(PhMe2NH)(B(4-C6H4F)4) | 136763-54-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (PhMe2NH)(B(4-C6H4F)4)
• 英文别名: Dimethyl(phenyl)azanium;tetrakis(4-fluorophenyl)boranuide
• CAS: 136763-54-7
• 化学式: C₈H₁₁N*C₂₄H₁₆BF₄*H
• 分子量: 513.386
• InChiKey: RBGDHDVMMIWEPV-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  4.08
• 重原子数：
  38
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  4.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  bis(cyclopentadienyl)dimethylzirconium(IV) 、 (PhMe2NH)(B(4-C6H4F)4) 在 C₄H₈O 作用下， 以 further solvent(s) 为溶剂， 以86%的产率得到
  参考文献：
  名称：

  Lewis-base-free cationic zirconocene complexes containing an alkenyl ligand

  摘要：

  Electrophilic cations [Cp'2ZrMe(NMe2Ph)n][B(4-C6H4F)4] (1) (n = 1, Cp'2 = (C5H5)2 (a), {(Me3Si)C5H4}2 (b), {(Me3C)C5H4}2 (c), rac-C2H4(indenyl)2 (d); n = 0, Cp' = C5Me5 (e)), generated in situ by protonolysis, react with internal alkynes to give Lewis-base-free alkenyl complexes [Cp'2ZrC(R1) = C(R2)Me][B(4-C6H4F)4] (R1 = SiMe3, R2 = Me, 2a-d; R1 = R2 = Ph, 3a-e). H-1, C-13, and Si-29 NMR spectroscopy suggests that agostic coordination of a Si-Me group to the zirconium center occurs for complexes 2 in solution. The structure of 2d.CH2Cl2 has been determined by X-ray crystallography. Crystal data: C52H49BCl2F4SiZr, M = 950.99, monoclinic, P2(1)/n, a = 15.402 (3) angstrom, b = 17.606 (3) angstrom, c = 16.960 (3) angstrom, Z = 4, and R = 0.050 for 5392 "observed" reflections. The alkenyl ligand in 2d interacts with electron-poor zirconium via agostic coordination of a Si-C and a C-H bond of the alpha-SiMe3 group (Zr-Si = 2.935 (2) angstrom; Zr-C = 2.578 (5) angstrom; Zr-H = 2.26 (7) angstrom). F-19 NMR spectroscopy shows that the anion is noncoordinating in complexes 2, 3c, and 3e; labile fluorine coordination to zirconium in complexes 1, 3a, 3b, and 3d results in upfield-shifted F-19 NMR resonances for the anion.

  DOI：

  10.1021/om00057a024

文献信息

• Reactivity of Monocationic Bis(alkyl) and Dicationic Mono(alkyl) Yttrium Complexes toward Ketones and Carbon Dioxide
  作者：Yumiko Nakajima、Jun Okuda

  DOI：10.1021/om0610290

  日期：2007.2.1

  product of insertion, [Y(μ-η1:η1-O2CR)2(12-crown-4)]2[B(C6H4F-4)4]2 (7‘c). The structures of 4a, 6a, and 7‘c were determined by single-crystal X-ray structural analysis. Reaction of the dicationic mono(alkyl) complex [Y(CH2SiMe3)(THF)5][BPh4]2 (2a) with benzophenone, fluorenone, and carbon dioxide resulted in the formation of the corresponding dicationic alkoxy complex [YOC(CH2SiMe3)R‘2}(THF)5][BPh4]2

  阳离子烷基钇配合物[Y（CH 2 SiMe 3）2（THF）4 ] [A]（1a，A = BPh 4 ; 1b，A = Al（CH 2 SiMe 3）4）在环境温度下与二苯甲酮和芴酮反应为了生产双（烷氧基）配合物的顺式- [Y OC（CH 2森达3）R ' 2 } 2（THF）4 ] [BPH 4 ]（图3a，R'= Ph值;图4a，R” 2 = C 12 ħ 8），而两种异构体，顺式-和反式- [Y OC（CH 2森达3）R ' 2 } 2（THF）4 ] [铝（CH 2森达3）4 ]（图3b，R'= Ph值;图4b铝酸盐1b与二苯甲酮或芴酮的反应得到R 1 ＝ C 12 H 8）。冠醚负载单阳离子双反应（烷基）配合物[Y（CH 2森达3）2（12-冠-4）（THF）] [A]（1 '一，A = BPH4 ; 1 ' b，A =的Al（CH 2森达3）4）与二苯甲酮或在形成芴结果顺-
• Horton, Andrew D.; Orpen, A. Guy, Angewandte Chemie, 1992, vol. 104, p. 912 - 914
  作者：Horton, Andrew D.、Orpen, A. Guy

  DOI：——

  日期：——
• Norton, Andrew D.; Guy Orpen, Organometallics, 1992, vol. 11, # 1, p. 8 - 10
  作者：Norton, Andrew D.、Guy Orpen

  DOI：——

  日期：——
• Pentamethylcyclopentadienyl ligand activation in a cationic zirconocene complex: formation of an unusual pendant allyl ligand with 1,3-butadiene
  作者：Andrew D. Horton

  DOI：10.1021/om00046a025

  日期：1992.10

  Activation of a C5Me5 ligand on reaction of (C5Me5)2ZrMeB(4-C6H4F)4} (1) with excess 1,3-butadiene affords an unusual linked cyclopentadienyl-allyl ligand in [(C5Me5)Zreta5:eta3-C5Me4(CH2CH2CHCHCH2)}]+ (2). Formation of 2 proceeds via elimination of 2-pentene from an observable eta3-allyl intermediate, followed by trapping of the putative tetramethylfulvene product by diene insertion. Stable Lewis-base-free eta3-allyl complexes, [Cp'2Zreta3-CH2C(Me)CH2}]+ (Cp' = C5Me5 (3b), (Me3C)C5H4 (3c)), are obtained with 1,2-propadiene.
• Cationic lanthanide alkyl complexes. Evidence for an unprecedented tetraphenylborate coordination mode in La(C5Me5){CH(SiMe3)2}BPh4
  作者：Colin J. Schaverien

  DOI：10.1021/om00046a060

  日期：1992.10

  Reaction of La(C5Me5)CH(SiMe3)2}2 (1) with [PhNMe2H]BPh4 affords zwitterionic La(C5Mer5)CH(SiMe3)2}BPh4 (2a), which reacts irreversibly with THF to displace the coordinated tetraphenylborate and afford the first cation lanthanide alkyl complex [La(C5Me5)CH(SiMe3)2}(THF)3]BPh4 (3a).