o-C6H4[C6H2Me2N=CH-C6H4-(H)N-C6H2iPr2]2(o-C6H4) | 849439-20-9

• 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: o-C6H4[C6H2Me2N=CH-C6H4-(H)N-C6H2iPr2]2(o-C6H4)
• 英文别名: 22,33,49,52-Tetramethyl-10,45,48,53-tetra(propan-2-yl)-12,20,35,43-tetrazanonacyclo[42.2.2.28,11.221,24.231,34.02,7.013,18.025,30.037,42]tetrapentaconta-1(47),2,4,6,8,10,13,15,17,19,21(52),22,24(51),25,27,29,31,33,35,37,39,41,44(48),45,49,53-hexacosaene；22,33,49,52-tetramethyl-10,45,48,53-tetra(propan-2-yl)-12,20,35,43-tetrazanonacyclo[42.2.2.28,11.221,24.231,34.02,7.013,18.025,30.037,42]tetrapentaconta-1(47),2,4,6,8,10,13,15,17,19,21(52),22,24(51),25,27,29,31,33,35,37,39,41,44(48),45,49,53-hexacosaene
• CAS: 849439-20-9
• 化学式: C₆₆H₆₈N₄
• 分子量: 917.293
• InChiKey: XRZDDXHKEPAQIP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.7
• 重原子数：
  70
• 可旋转键数：
  4
• 环数：
  18.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  48.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  o-C6H4[C6H2Me2N=CH-C6H4-(H)N-C6H2iPr2]2(o-C6H4) 、 二氧化硫 、 Dimethylzinc 以 not given 为溶剂， 生成 o-C6H4[C6H2Me2N=CH-C6H4-N-C6H2iPr2-κ2-N,N)Zn(μ-methylsulfinato)]2(o-C6H4)
  参考文献：
  名称：

  Bimetallic Anilido-Aldimine Zinc Complexes for Epoxide/CO₂ Copolymerization

  摘要：

  Acyclic o-phenylene-bridged bis(anilido-aldimine) compounds, o-C6H4{C6H2R2N=CH-C6H4(H)N(C6H3R'(2))}(2) and related 30-membered macrocyclic compounds, o-C6H4{C6H2R'N-2=CH-C6H4-(H)-N(C6H2R2}(2) (o-C6H4) are prepared. Successive additions of Me2Zn and SO2 gas to the bis(anilido-aidimine) compounds afford quantitatively dinuclear mu-methylsulfinato zinc complexes, o-C6H4{(C6H2R2N=CH-C6H4N(C6H3R'(2))-kappa(2)-N,N)Zn(mu-OS(O)Me)(2) (R = iPr and R' = Pr, 29; R = Et and R' = Et, 30; R = Me and R' = Me, 31; R = Me and R' = Pr, 32; R = Et and R' = Me, 33; R = Et and R' = Pr, 34; R = Pr and R' = Et, 35) and o-C6H4{C6H2R'N-2=CH-C6H4-N-C6H2R2-kappa(2)-N,N)Zn(mu-OS(O)Me)}(2) (o-C6H4) (R Et and R' = Et, 36; R = Me and R' = Me, 37; R = Pr and R' = Me, 38; R = Et and R' = Me, 39; R Me and R' = Pr, 40). Molecular structures of 34 and 40 are confirmed by X-ray crystallography. Complexes 30-35 show high activity for cyclohexene oxide/CO2 copolymerization at low [Zn]/[monomer] ratio (1:5600), whereas the complex of mononucleating beta-diketiminate {[(C6H3Et2)N=C(Me)CH=C(Me)N(C6H3Et2)]Zn(mu-OS(O)Et}(2) shows negligible activity in the same condition. Activity is sensitive to the N-aryl ortho substituents and the highest activity is observed with 32. Turnover number up to 2980 and molecular weight (M-n) up to 284 000 are attained with 32 at such a highly diluted condition as [Zn]/[monomer] = 1: 17 400. Macrocyclic complexes 36-40 show negligible activity for copolymerization.

  DOI：

  10.1021/ja0435135

文献信息

• Bimetallic Anilido-Aldimine Zinc Complexes for Epoxide/CO₂ Copolymerization
  作者：Bun Yeoul Lee、Heon Yong Kwon、Su Yeon Lee、Sung Jae Na、Song-i Han、Hoseop Yun、Hyosun Lee、Young-Whan Park

  DOI：10.1021/ja0435135

  日期：2005.3.9

  Acyclic o-phenylene-bridged bis(anilido-aldimine) compounds, o-C6H4C6H2R2N=CH-C6H4(H)N(C6H3R'(2))}(2) and related 30-membered macrocyclic compounds, o-C6H4C6H2R'N-2=CH-C6H4-(H)-N(C6H2R2}(2) (o-C6H4) are prepared. Successive additions of Me2Zn and SO2 gas to the bis(anilido-aidimine) compounds afford quantitatively dinuclear mu-methylsulfinato zinc complexes, o-C6H4(C6H2R2N=CH-C6H4N(C6H3R'(2))-kappa(2)-N,N)Zn(mu-OS(O)Me)(2) (R = iPr and R' = Pr, 29; R = Et and R' = Et, 30; R = Me and R' = Me, 31; R = Me and R' = Pr, 32; R = Et and R' = Me, 33; R = Et and R' = Pr, 34; R = Pr and R' = Et, 35) and o-C6H4C6H2R'N-2=CH-C6H4-N-C6H2R2-kappa(2)-N,N)Zn(mu-OS(O)Me)}(2) (o-C6H4) (R Et and R' = Et, 36; R = Me and R' = Me, 37; R = Pr and R' = Me, 38; R = Et and R' = Me, 39; R Me and R' = Pr, 40). Molecular structures of 34 and 40 are confirmed by X-ray crystallography. Complexes 30-35 show high activity for cyclohexene oxide/CO2 copolymerization at low [Zn]/[monomer] ratio (1:5600), whereas the complex of mononucleating beta-diketiminate [(C6H3Et2)N=C(Me)CH=C(Me)N(C6H3Et2)]Zn(mu-OS(O)Et}(2) shows negligible activity in the same condition. Activity is sensitive to the N-aryl ortho substituents and the highest activity is observed with 32. Turnover number up to 2980 and molecular weight (M-n) up to 284 000 are attained with 32 at such a highly diluted condition as [Zn]/[monomer] = 1: 17 400. Macrocyclic complexes 36-40 show negligible activity for copolymerization.