| 194655-50-0

• CAS: 194655-50-0；258518-85-3
• 化学式: C₁₉H₃BF₁₅*C₁₉H₄₃Al₂N₄
• 分子量: 908.56
• InChiKey: SYWLDICJCNOCGN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  以 二氯甲烷-D2 为溶剂， 生成 aluminum;carbanide;N,N-dimethylaniline;(C-methyl-N-propan-2-ylcarbonimidoyl)-propan-2-ylazanide;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
  参考文献：
  名称：

  Synthesis and Structures of Cationic Aluminum and Gallium Amidinate Complexes

  摘要：

  Aluminum and gallium amidinate complexes, {RC(NR')(2)}MMe2 (R, R' = alkyl; M = Al, Ga), react with the "cationic activators" [Ph3C][B(C6F5)(4)] and B(C6F5)(3) to yield cationic Al and Ga alkyl species whose structures are strongly influenced by the steric properties of the amidinate ligand. The reaction of acetamidinate Al complexes {MeC(NR')(2)}AlMe2 (R' = Pr-i, 1a; R' = Cy, 3a) with 0.5 equiv of [Ph3C][B(C6F5)(4)] or B(C6F5)(3) yields {MeC(NR')(2)}(2)Al2Me3+ (R' = Pr-i, 2a(+); R' = Cy, 4a(+)) as the B(C6F5)(4)(-) or MeB(C6F5)(3)-salts. X-ray crystallographic analyses establish that 2a(+) and 4a(+) are double-amidinate-bridged dinuclear cations, in which the two metal centers are linked by mu-eta(1),eta(1) and mu-eta(1),eta(2) amidinate bridges. NMR studies show that 2a(+) undergoes two dynamic processes in solution: (i) a mu-eta(1),eta(1)/mu-eta(1),eta(2) amidinate exchange and (ii) Me exchange between the two metal centers. The reaction of {MeC((NPr)-Pr-i)(2)}GaMe2 (1b) with 0.5 equiv of B(C6F5)(3) yields {MeC((NPr)-Pr-i)(2)}(2)Ga2Me3+ (2b(+)), whose structure and dynamic properties are similar to those of 2a(+). The reaction of the bulkier 'Bu-substituted amidinate complexes {'BuC((NPr2)-Pr-i)(2)}MMe2 (M = Al, 6a; M = Ga, 6b) with 0.5 equiv of [Ph3C][B(C6F5)(4)] yields {'BuC((NPr)-Pr-i)(2)}MMe2.{'BuC((NPr)-Pr-i)(2)}MMe2 (M = Al, 7a(+); M = Ga, 7b(+)) as the B(C6F5)4- salts, the former of which is thermally unstable. An X-ray crystallographic analysis establishes that 7b(+) is a single-amidinate-bridged dinuclear cation, in which the two metal centers are linked by a mu-eta(1),eta(2) amidinate bridge. NMR data establish that the structures of 7a(+) and 7b(+) are similar and both species are rigid in solution. 6a and 6b also react with B(C6F5)(3) to yield [7a][MeB(C6F5)(3)] and [7b][MeB(C6F5)(3)], respectively, which decompose by C6F5- transfer- to yield {'BuC((NPr)-Pr-i)(2)}M(Me)(C6F5) (M = Al, 9a; M = Ga, 9b) and boron species. The "super-bulky" amidinate complexes {'BuC((NBu)-Bu-i)(2)}MMe2 (M = Al, 12a; M = Ga, 12b) react with 1 equiv of [Ph3C][B(C6F5)(4)] to yield {'BuC((NBu)-Bu-i)(2)}MMe+ (M = Al, 13a(+); M = Ga, 13b(+)) as the B(C6F5)(4)(-) salts. The salts [13a][B(C6F5)(4)] and [13b][B(C6F5)(4)] are thermally unstable and could not be isolated. However, the NMR data for 13a(+) and 13b(+) in C6D5Cl are consistent with base-free, three-coordinate structures or labile. four-coordinate solvated cations.These results provide a starting point for understanding the mechanism and reactivity trends in ethylene polymerization catalyzed by cationic Al amidinate species.

  DOI：

  10.1021/ja992104j
• 作为产物：
  描述：

  N,N'-二异丙基碳二亚胺 以 正己烷 为溶剂， 生成
  参考文献：
  名称：

  铝的单酰胺基和双酰胺基的配合物的合成与结构

  摘要：

  描述了单和双（酰胺基）铝配合物的合成和结构。AlMe 3和1当量的碳二亚胺R'N C NR'的反应得到{MeC（NR'）2 } AlMe 2（1a，R'= i; 在图1b中，R'＝ Cy ＝环己基）。R'N C NR'与MeLi或t的反应BuLi生成Li [RC（NR'）2 ]（2a，R = Me，R'= i; 3a，R = tBu，R'= i; 3b，R = tBu，R'＝ Cy；3c，R = tBu，R'＝ SiMe 3）。2a，3a和3b可分离或原位反应，而尝试分离3c可得到[Li（tBuCN）{μ-N（SiMe 3）2 }] 2（3d）。1当量的AlCl 3与2a或3a - c反应得到{RC（NR'）2 } AlCl 2（4a，R = Me; 5a - c，R = tBu），而AlMe 2 Cl与3a - c的反应得到{ tBuC（NR'）2 } AlMe 2（6a - c）。将5a，b与2当量的PhCH

  DOI：

  10.1021/om9706323