N,N'-3,5-bis(α,α-dimethylbenzyl)-2-hydroxysalicylidene-2,2-dimethyl-1,3-diamine | 1361946-40-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: N,N'-3,5-bis(α,α-dimethylbenzyl)-2-hydroxysalicylidene-2,2-dimethyl-1,3-diamine
• 英文别名: 2-[[3-[[2-Hydroxy-3,5-bis(2-phenylpropan-2-yl)phenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol
• CAS: 1361946-40-8
• 化学式: C₅₅H₆₂N₂O₂
• 分子量: 783.109
• InChiKey: HYLJTEBIGOXTBP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.4
• 重原子数：
  59
• 可旋转键数：
  14
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  65.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N,N'-3,5-bis(α,α-dimethylbenzyl)-2-hydroxysalicylidene-2,2-dimethyl-1,3-diamine 、 三甲基铝 以 正己烷 、 甲苯 为溶剂， 以80%的产率得到AlMe(N,N'-3,5-bis(α,α-dimethylbenzyl)-2-hydroxysalicylidene-2,2-dimethyl-1,3-diamine(1-))
  参考文献：
  名称：

  Preparation and Characterization of Aluminum Alkoxides Coordinated on salen-Type Ligands: Highly Stereoselective Ring-Opening Polymerization of rac-Lactide

  摘要：

  A series of salen-type ligands ((LH2)-H-1-(LH2)-H-6) with sterically bulky cumyl groups have been synthesized. Reaction of these ligands with AlMe3 yields the mononuclear aluminum complexes [LAlMe] (1-3) or dinuclear species [L2Al2Me4] (4-6), respectively. Further reaction of [LAlMe] (1-3) with benzyl alcohol produces [LAl(OBn)] (1a-3a), respectively. Solid-state structural studies reveal that complexes la and 2a are mononuclear; however, complex 6 is a d.inuclear species. Aluminum alkoxides 1a-3a are highly stereoselective in the ROP of rac-lactide, producing polylactide (PLA) with 94-97% enantiomeric selectivity (P-m) at high conversion. Their high enantioselectivity leads to PLA with high T-m (205 degrees C). The polymerization of L-lactide by these complexes also shows good living features with narrow PDI values (M-w/M-n = 1.06-1.25) signaling less or no transesterification, which can be further verified by MALDI-TOF mass spectrometric analysis.

  DOI：

  10.1021/om201281w
• 作为产物：
  描述：

  二甲基丙二胺 、 2-hydroxy-3,5-dicumylbenzaldehyde 以 乙醇 为溶剂， 反应 12.0h， 以75%的产率得到N,N'-3,5-bis(α,α-dimethylbenzyl)-2-hydroxysalicylidene-2,2-dimethyl-1,3-diamine
  参考文献：
  名称：

  Preparation and Characterization of Aluminum Alkoxides Coordinated on salen-Type Ligands: Highly Stereoselective Ring-Opening Polymerization of rac-Lactide

  摘要：

  A series of salen-type ligands ((LH2)-H-1-(LH2)-H-6) with sterically bulky cumyl groups have been synthesized. Reaction of these ligands with AlMe3 yields the mononuclear aluminum complexes [LAlMe] (1-3) or dinuclear species [L2Al2Me4] (4-6), respectively. Further reaction of [LAlMe] (1-3) with benzyl alcohol produces [LAl(OBn)] (1a-3a), respectively. Solid-state structural studies reveal that complexes la and 2a are mononuclear; however, complex 6 is a d.inuclear species. Aluminum alkoxides 1a-3a are highly stereoselective in the ROP of rac-lactide, producing polylactide (PLA) with 94-97% enantiomeric selectivity (P-m) at high conversion. Their high enantioselectivity leads to PLA with high T-m (205 degrees C). The polymerization of L-lactide by these complexes also shows good living features with narrow PDI values (M-w/M-n = 1.06-1.25) signaling less or no transesterification, which can be further verified by MALDI-TOF mass spectrometric analysis.

  DOI：

  10.1021/om201281w

文献信息

• Ring-opening polymerization of cyclic esters initiated by zirconium, titanium and yttrium complexes
  作者：Chen-Yen Tsai、Hong-Cyuan Du、Jen-Chieh Chang、Bor-Hunn Huang、Bao-Tsan Ko、Chu-Chieh Lin

  DOI：10.1039/c4ra00201f

  日期：——

  A series of dinuclear zirconium [LZr(OiPr)2]2[(μ-OiPr)2] (1–3) as well as mononuclear titanium [LTi(OiPr)2] (4), yttrium [LYCl] (5) and zirconium [LZr(OiPr)2] (6–7) salen-type complexes (L = dianionic [ONNO]-tetradentate ancillary ligand) have been prepared and characterized. Dinuclear zirconium salen complexes [LZr(OiPr)2]2[(μ-OiPr)2] (1–3) have shown effective activity toward the ring opening polymerization

  一系列的双核锆[LZR（O的我PR）2 ] 2 [（μ-O我PR）2 ]（1-3），以及单核钛[路斯特（O我PR）2 ]（4），钇[ LYCl]（5）和锆[LZr（O i Pr）2 ]（6-7）salen型配合物（L =双阴离子[ONNO]-四齿辅助配体）已经制备并表征。双核锆萨伦络合物[LZR（O我PR）2 ] 2 [（μ-O我PR）2 ]（1-3）显示出对丙交酯和ε-己内酯的开环聚合的有效活性。但是，单核钛，钇和锆配合物4-7对L-丙交酯的ROP几乎没有活性。由双核锆配合物2引发的L-丙交酯的无溶剂本体聚合反应，其转化率> 90％，可在10分钟内完成，从而得到具有低多分散指数的高分子量聚丙交酯。动力学研究表明，由双核锆配合物3引发的L-丙交酯的ROP对[LA]具有一阶依赖性。
• Synthesis and Characterization of Yttrium and Ytterbium Complexes Supported by Salen Ligands and Their Catalytic Properties for <i>rac</i>-Lactide Polymerization
  作者：Weikai Gu、Pengfei Xu、Yaorong Wang、Yingming Yao、Dan Yuan、Qi Shen

  DOI：10.1021/acs.organomet.5b00223

  日期：2015.6.22

  alcohols PhCH2OH and PriOH, produced complex 5 and the yttrium Salen alkoxides [L3Y(μ-OCH2Ph)]2 (8) and [L3Y(μ-OPri)]2 (9), respectively. X-ray structural determination showed that complexes 1–4 and 7 have a THF-solvated monomeric structure, and complex 5 has an unsolvated monomeric structure, whereas complex 8 has an unsolvated dimeric structure. All of these complexes can initiate the ring-opening polymerization

  合成了具有不同空间和电子性质的Salen配体支撑的一系列钇和配合物，并探讨了它们对rac-丙交酯（rac -LA）聚合的催化性能。的苯酚消除反应（ARO）3 LN（THF）（ARO = 2,6-卜吨2 -4-MEC 6 ħ 2 O）与一些萨伦配体（CH 3）2 C [CH 2 N = CH （C 6 H 2 -2-OH-3,5-R 2）] 2 [L 1 H 2，R = H; 长2高2，R ＝ Cl；L 3 H 2，R = Bu t；L 4 H 2，R = CMe 2 Ph]和CH 2 [CH 2 N = CH （C 6 H 2 -2-OH-3,5-Cl 2）] 2（L 5 H 2），处于1：摩尔比为1的钇和Sale Salen芳氧化物L 1 Ln（OAr）（THF）2（Ln = Y（1），Yb（2）），L 2 Ln（OAr）（THF）n（Ln = Y（3） ，n = 2; Ln = Yb（4），n＝