[(2-((2,6-diisopropylphenyl)amido)-4-((2,6-diisopropylphenyl)imino)-2-penteneato)ZnOAc] | 215808-44-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [(2-((2,6-diisopropylphenyl)amido)-4-((2,6-diisopropylphenyl)imino)-2-penteneato)ZnOAc]
• 英文别名: [Zn(O2CCH3)(N(2,6-di(isopropyl)phenyl)C(CH3)CHC(CH3)N(2,6-di(isopropyl)phenyl))]
• CAS: 215808-44-9
• 化学式: C₃₁H₄₄N₂O₂Zn
• 分子量: 542.093
• InChiKey: DUNBQARVQURXDJ-GGFZQTNZSA-M

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

• 作为产物：
  描述：

  [(2-((2,6-diisopropylphenyl)amido)-4-((2,6-diisopropylphenyl)imino)-2-pentene)ZnOAc]2 以 氘代甲苯 为溶剂， 生成 [(2-((2,6-diisopropylphenyl)amido)-4-((2,6-diisopropylphenyl)imino)-2-penteneato)ZnOAc]
  参考文献：
  名称：

  Mechanism of the Alternating Copolymerization of Epoxides and CO₂ Using β-Diiminate Zinc Catalysts:  Evidence for a Bimetallic Epoxide Enchainment

  摘要：

  A series of zinc beta-diiminate (BDI) complexes and their solid-state structures, solution dynamics, and copolymerization behavior with CO2 and cyclohexene oxide (CHO) are reported. Stoichiometric reactions of the copolymerization initiation steps show that zinc alkoxide and bis(trimethylsilyl)amido complexes insert CO2, whereas zinc acetates react with CHO. [(BDl-2)ZnOMe](2) [(BDI-2) = 2-((2,6-diethylphenyl)amido)-4-((2,6-diethylphenyl)imino)-2-pentene] and (BDI-1)(ZnOPr)-Pr-i [(BDI-1) = 2-((2,6-diisopropylphenyl)amido)-4-((2,6-diisopropylphenyl)imino)-2-pentene] react with CO2 to form [(BDI-2)Zn(mu-OMe) (mu,eta(2)-O2COMe)Zn(BDI-2)] and [(BDI-1)Zn(mu-eta(2)-(O2COPr)-Pr-i)](2), respectively. (BDI-2)ZnN(SiMe3)(2) inserts CO2 and eliminates trimethylsilyl isocyanate to give [(BDI-2)Zn(mu-OSiMe3)](2). [(BDI-7)Zn(mu-OAc)](2) [(BDI-7) = 3-cyano-2-((2,6-diethylphenyl) amido)-4-((2,6-diethylphenyl)imino)-2-pentene) reacts with 1.0 equiv of CHO to yield [(BDI-7)Zn(mu,eta(2)-OAc)-(mu,eta(1)-OCyOAc)Zn(BDI-7)]. Under typical polymerization conditions, rate studies on the copolymerization exhibit no dependence in [CO2], a first-order dependence in [CHO], and orders in [Zn]tot ranging from 1.0 to 1.8 for [(BDI)ZnOAc] complexes. The copolymerizations of CHO (1.98 M in toluene) and 300 Psi CO2 at 50 degreesC using [(BDI-1)ZnOAc] and [(BDI-2)ZnOAc] show orders in [Zn](tot) of 1.73 +/- 0.06 and 1.02 +/- 0.03, respectively. We propose that two zinc complexes are involved in the transition state of the epoxide ring-opening event.

  DOI：

  10.1021/ja030085e

文献信息

• High-Activity, Single-Site Catalysts for the Alternating Copolymerization of CO₂ and Propylene Oxide
  作者：Scott D. Allen、David R. Moore、Emil B. Lobkovsky、Geoffrey W. Coates

  DOI：10.1021/ja028071g

  日期：2002.12.1

  Despite recent advances regarding catalysts for CO2/epoxide copolymerization, the development of high-activity catalysts for alternating polymerization of CO2 and commodity epoxides, such as propylene oxide, remains a challenge. A new class of unsymmetrically substituted beta-diiminate zinc complexes is reported that exhibits unprecedented activity for CO2/propylene oxide copolymerization. The polymers formed are of high molecular weight (Mn approximately 35 kg/mol) and have narrow polydispersities (PDI approximately 1.1), consistent with a living polymerization.
• Catalytic Reactions Involving C₁ Feedstocks:  New High-Activity Zn(II)-Based Catalysts for the Alternating Copolymerization of Carbon Dioxide and Epoxides
  作者：Ming Cheng、Emil B. Lobkovsky、Geoffrey W. Coates

  DOI：10.1021/ja982601k

  日期：1998.10.1