N,N'-bis(3-adamantyl-5-methylsalicylidene)-2,2-dimethyl-1,3-propanediamine | 1476078-88-2

• 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: N,N'-bis(3-adamantyl-5-methylsalicylidene)-2,2-dimethyl-1,3-propanediamine
• 英文别名: 2-(1-Adamantyl)-6-[[3-[[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4-methylphenol
• CAS: 1476078-88-2
• 化学式: C₄₁H₅₄N₂O₂
• 分子量: 606.892
• InChiKey: GOTGKZOKZXEVEK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.8
• 重原子数：
  45
• 可旋转键数：
  8
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.66
• 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'-bis(3-adamantyl-5-methylsalicylidene)-2,2-dimethyl-1,3-propanediamine 、 三甲基铝 以 正庚烷 为溶剂， 反应 12.0h， 以49%的产率得到
  参考文献：
  名称：

  Aluminium salophen and salen initiators in the ring-opening polymerisation of rac-lactide and rac-β-butyrolactone: Electronic effects on stereoselectivity and polymerisation rates

  摘要：

  Three aluminium salophen and two aluminium salen complexes were synthesised, characterised and screened in the ring-opening polymerisation (ROP) of rac-lactide and rac-beta-butyrolactone. The focus was on controlling the apparent polymerisation rate (k(p)) and stereoselectivity of poly(lactic acid) and poly(3-hydroxybutyrate) by modulating the electron density at the aluminium centre or by switching from an alkyl backbone (salen complex) to an aryl backbone (salophen complex). The salen complexes generally showed higher k(p) as well as isoselectivity compared to the salophen complexes. For instance, salophen and salen complexes biased the microstructure of poly(3-hydroxybutyrate) towards syndiotacticity and isotacticity, respectively. Electron-withdrawing or electron-donating backbones on a salophen complex tuned k(p), with electron-donating backbones offering faster k(p). (C) 2013 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2013.08.023
• 作为产物：
  描述：

  二甲基丙二胺 、 3-adamantyl-2-hydroxy-5-methylbenzaldehyde 以 乙醇 为溶剂， 反应 3.0h， 以83%的产率得到N,N'-bis(3-adamantyl-5-methylsalicylidene)-2,2-dimethyl-1,3-propanediamine
  参考文献：
  名称：

  Aluminium salophen and salen initiators in the ring-opening polymerisation of rac-lactide and rac-β-butyrolactone: Electronic effects on stereoselectivity and polymerisation rates

  摘要：

  Three aluminium salophen and two aluminium salen complexes were synthesised, characterised and screened in the ring-opening polymerisation (ROP) of rac-lactide and rac-beta-butyrolactone. The focus was on controlling the apparent polymerisation rate (k(p)) and stereoselectivity of poly(lactic acid) and poly(3-hydroxybutyrate) by modulating the electron density at the aluminium centre or by switching from an alkyl backbone (salen complex) to an aryl backbone (salophen complex). The salen complexes generally showed higher k(p) as well as isoselectivity compared to the salophen complexes. For instance, salophen and salen complexes biased the microstructure of poly(3-hydroxybutyrate) towards syndiotacticity and isotacticity, respectively. Electron-withdrawing or electron-donating backbones on a salophen complex tuned k(p), with electron-donating backbones offering faster k(p). (C) 2013 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2013.08.023