| 358623-87-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• CAS: 358623-87-7
• 化学式: C₂₃H₃₀N₂Zn
• 分子量: 399.895
• InChiKey: UMABVNQYISFTNW-LJBBPXFASA-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：

  甲醇 、 以 甲苯 为溶剂， 以52%的产率得到
  参考文献：
  名称：

  Single-Site β-Diiminate Zinc Catalysts for the Alternating Copolymerization of CO₂ and Epoxides:  Catalyst Synthesis and Unprecedented Polymerization Activity

  摘要：

  Synthetic routes to zinc ss -diiminate complexes are reported. The synthesis of 11 ss -diimine [(BDI)H] ligands, with varying N-aryl substituents and bridging structures, is described. These ligands are converted to (BDI)ZnX complexes (X = OAc. Et. N(SiMe3)(2), Br, Cl, OH, OMe, (OPr)-Pr-i). X-ray structural data revealed that all zinc complexes examined exist as mu -X-bridged dimers in the solid state, with the exception of the zinc ethyl and amido complexes which were monomeric. Complexes of the form (BDI)ZnOR (R = alkyl, acyl) and (BDI)ZnN(SiMe3)(2) are highly active catalysts for the alternating copolymerization of epoxides and CO2. Copolymerizations of cyclohexene oxide (CHO) and CO2 with (BDI-1)ZnX [(BDI-1) = 2-((2,6-diisopropylphenyl)amido)-4-((2,6-diisopropylphenyl)imino)-2-pentene)] and (BDI-2)ZnX [(BDI-2) = 2-((2,6-diethylphenyl)amido)-4-((2,6-diethylphenyl)imino)-2-pentene)], where X = OAc, Et, N(SiMe3)(2), Br, Cl, OH, OMe, (OPr)-Pr-i, were attempted at 50 degreesC and 100 Psi CO2. Complexes with X = OAc, N(SiMe3)(2), OMe, (OPr)-Pr-i all produced polycarbonate by the alternated insertion of CHO and CO2 with similar catalytic activities, comparable molecular weights, and narrow molecular weight distributions (MWD similar to 1.1), indicating the copolymerizations are living. Furthermore, ligand effects were shown to dramatically influence the polymerization activity as minor steric changes accelerated or terminated the polymerization activity.

  DOI：

  10.1021/ja003850n
• 作为产物：
  描述：

  2,6-二甲基苯胺 、 乙酰丙酮 在 盐酸 作用下， 以 乙醇 、 正己烷 为溶剂， 反应 92.0h， 生成
  参考文献：
  名称：

  β-二亚胺配体负载有机锌在纯溶剂中的溶解度测定及热力学分析

  摘要：

  在这项工作中，静态分析方法用于确定β-二亚胺配体 (1) (L 1 = HC(CMeNAr) 2 , Ar = 2,6-Me 2 C 6 H 3 ) 和有机锌的溶解度数据化合物：L 1 ZnEt（2）中，L 2 ZnEt（3）（L 2 = HC（CMeNAr）2中，Ar = 2,6-我镨2 ç 6 ħ 3）在六个纯溶剂（甲醇，乙醇，ñ-己烷、甲苯、乙醚、二氯甲烷、四氢呋喃）在氮气氛下。实验数据是用于优化纯化，重结晶过程和均相催化的对化合物的设计至关重要1，2，和3在行业中。六种常见的热力学模型用于关联实验溶解度数据：Apelblat 模型、多项式经验方程、λh 模型、Yaws 模型、NRTL 模型和 Scatchard-Hildebrand 活性系数模型。这些热力学模型通过平均绝对相对偏差 (AARD) 进行评估，以得出最佳拟合模型。其中，多项式经验方程和Scatchard-Hildebr

  DOI：

  10.1016/j.molliq.2021.118055

文献信息

• Mechanism of the Alternating Copolymerization of Epoxides and CO₂ Using <i>β</i>-Diiminate Zinc Catalysts:  Evidence for a Bimetallic Epoxide Enchainment
  作者：David R. Moore、Ming Cheng、Emil B. Lobkovsky、Geoffrey W. Coates

  DOI：10.1021/ja030085e

  日期：2003.10.1

  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.