(2,6-(i-Pr)2C6H3)N=CHC4H4(C6H4)OH | 1227734-81-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (2,6-(i-Pr)2C6H3)N=CHC4H4(C6H4)OH
• CAS: 1227734-81-7
• 化学式: C₂₃H₂₇NO
• 分子量: 333.473
• InChiKey: OZQLPNQMVQPRSO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.55
• 重原子数：
  25.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  32.59
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  Py₂Ni(Me)₂ 、 (2,6-(i-Pr)2C6H3)N=CHC4H4(C6H4)OH 以 toluene 为溶剂， 以92%的产率得到[((2,6-(i-Pr)2C6H3)N=CHC4H4O(C6H4))Ni(CH3)(C5H5N)]
  参考文献：
  名称：

  可接近的高活性单组分β-酮亚胺基中性镍（II）催化剂，用于乙烯聚合

  摘要：

  一系列基于环状β-酮亚胺基配体的新型中性镍配合物，[（2,6- i Pr 2 C 6 H 3）N（CHC 6 H 8 O] Ni（Ph）（PPh 3）（3b），[ （2,6-我镨2 ç 6 ħ 3）N═CHC ñ 3 ħ 2 ñ 2 Ó（C 6 H ^ 4）]镍（PH）（PPH 3）（图6a - ç），和[（2- ，6- i Pr 2 C 6 H 3）N═CHC已合成n +3 H 2 n +2 O（C 6 H 4）] Ni（CH 3）（Py）（ 7a - c： a， n = 0; b， n = 1; c， n = 2）和特点。这些方便获得的络合物被证明是在没有活化剂的情况下用于乙烯聚合的高活性催化剂。在优化的条件下，使用6c观察到71.4 kg PE /（（（Ni的摩尔数）h atm）的活性作为催化剂。特别地，引起极大兴趣的是，靠近β-酮亚胺基配合物的氧原子的大取代基不再是获得高催化效率的

  DOI：

  10.1021/om100075u

文献信息

• Observations and Mechanistic Insights on Unusual Stability of Neutral Nickel Complexes with a Sterically Crowded Metal Center
  作者：Dong-Po Song、Yong-Xia Wang、Hong-Liang Mu、Bai-Xiang Li、Yue-Sheng Li

  DOI：10.1021/om100725h

  日期：2011.3.14

  series of novel nickel(II) methyl pyridine complexes based on β-ketiminato and phenoxyiminato ligands, [(2,6-iPr2C6H3)N═CH(8-R1C10H7)O]Ni(Me)(Py) (5a, R1 = phenyl; 5b, R1 = norbornyl), [(2,6-iPr2C6H3)N═CH(8-R1C10H5)O]Ni(Me)(Py) (6a, R1 = phenyl; 6b, R1 = norbornyl), and [(2,6-iPr2C6H3)N═CHCHC(2′-R2C6H4)O]Ni(Me)(Py) (7a, R2 = H; 7b, R2 = phenyl), have been synthesized and characterized. Molecular structures

  基于β-酮亚胺基和苯氧基亚胺基配体[[2,6- i Pr 2 C 6 H 3）N═CH（8-R 1 C 10 H 7）O] Ni的一系列新型镍（II）甲基吡啶配合物（Me）（Py）（5a，R 1 =苯基; 5b，R 1 =降冰片基），[（2,6- i Pr 2 C 6 H 3）N═CH（8-R 1 C 10 H 5）O ] Ni（Me）（Py）（6a，R 1 =苯基; 6b，R 1＝降冰片基），和[（2,6- i Pr 2 C 6 H 3）N═CHCHC（2'-R 2 C 6 H 4）O] Ni（Me）（Py）（7a，R 2 = H;在图7b中，R 2＝苯基）已经被合成和表征。通过X射线晶体学分析进一步证实了5a和6b的分子结构。这些络合物对乙烯聚合显示出非常不同的催化性能。5a等特殊催化剂结构的设计与建造带有一个指向镍（II）中心的苯基的事实证明是提高催化剂稳定性的有效策略。值得注意的是，根据1
• Living ring-opening homo- and copolymerisation of ε-caprolactone and<scp>l</scp>-lactide by cyclic β-ketiminato aluminium complexes
  作者：Yan Liu、Wei-Shi Dong、Jing-Yu Liu、Yue-Sheng Li

  DOI：10.1039/c3dt52712c

  日期：——

  A series of novel aluminium complexes containing cyclic β-ketiminato ligands of type Me2AlO-[(ArNCHC4H4(C6H4))]} (3a, Ar = 2,6-iPr2C6H3; 3b, Ar = C6H5; 3c, Ar = C6F5) have been prepared in high yields. These complexes were identified by 1H, 13C NMR spectroscopy and elemental analysis. X-ray structural analyses for 3a–c revealed that these complexes have a distorted tetrahedral geometry around Al, and both bond distances and bond angles were considerably influenced by the ligand structure. These complexes were tested as catalyst precursors for ring-opening polymerisation of ε-caprolactone (ε-CL) and L-lactide (L-LA) in the presence of 2-propanol as an initiator. Complex 3a could polymerize ε-CL in a controlled manner with high efficiency. Based on the living characteristics, the preparation of well-defined block copolymers PCL-b-PLLA via sequential addition of monomers was performed by 3a. Note that complex 3c exhibited rather high catalytic activity for the ROP of L-LA with narrow molecular weight distribution. The monomer conversion reached completion only in 4 h when the L-LA/Al molar ratio was 100 at 80 °C. PLLA-b-PCL copolymers were thus easily produced by 3c.

  一系列新型铝配合物以Me2AlO-[(ArNCHC4H4(C6H4))]}（3a，Ar = 2,6-iPr2C6H3；3b，Ar = C6H5；3c，Ar = C6F5）为环状β-酮亚胺型配体，制备得率很高。这些配合物通过1H、13C NMR光谱和元素分析进行鉴定。3a-c的X射线结构分析显示，这些配合物在铝周围具有扭曲的四面体几何结构，键长和键角均受到配体结构的影响。这些配合物作为催化剂前体，在2-丙醇作为引发剂的情况下，对ε-己内酯（ε-CL）和L-乳酸（L-LA）的环开环聚合进行了测试。配合物3a能够以可控的方式高效地聚合ε-CL。基于其活性，通过3a依次添加单体，制备了结构明确的嵌段共聚物PCL-b-PLLA。值得注意的是，配合物3c对分子量分布较窄的L-LA的ROP表现出相当高的催化活性。当L-LA/Al的摩尔比为100，温度为80°C时，单体转化仅在4小时内完成。因此，3c很容易生产出PLLA-b-PCL共聚物。