N,N'-(1,1,2,2-tetramethylene)bis(5-methoxysalicylideneimine) | 895526-10-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: N,N'-(1,1,2,2-tetramethylene)bis(5-methoxysalicylideneimine)
• 英文别名: 5,5'-dimethoxy-8,8,8',8'-tetramethyl(bis-salicylaldehyde ethylenimine)；2-[[3-[(2-Hydroxy-5-methoxyphenyl)methylideneamino]-2,3-dimethylbutan-2-yl]iminomethyl]-4-methoxyphenol
• CAS: 895526-10-0
• 化学式: C₂₂H₂₈N₂O₄
• 分子量: 384.475
• InChiKey: PLRDNPGIVOFTJL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  83.6
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N,N'-(1,1,2,2-tetramethylene)bis(5-methoxysalicylideneimine) 、 manganese (II) acetate tetrahydrate 在 potassium hydroxide 作用下， 以 甲醇 为溶剂， 以56%的产率得到[Mn(II)(N,N'-(1,1,2,2-tetramethylene)bis(5-methoxysalicylideneiminate))]*1.4H2O
  参考文献：
  名称：

  From an S_T = 3 Single-Molecule Magnet to Diamagnetic Ground State Depending on the Molecular Packing of Mn^IIIsalen-type Dimers Decorated by N,N‘-Dicyano-1,4-naphthoquinonediiminate Radicals

  摘要：

  Two manganese(III) tetradentate Schiff- base dimers to which N, N'-dicyano- ,4-naphthoquinonediiminate (DCNNQI) radicals are attached have been selectively synthesized by varying the solvents used in the reactions: [Mn-2(5-MeOsaltmen) (2)(DCNNQI)(2)] center dot MeOH ( 1) and [Mn-2(5-MeOsaltmen)(2)(DCNNQI)(2)] center dot 2CH(2)Cl(2) center dot 2CH(3)CN ( 2) [5-MeOsaltmen(2-) = N, N'-(1,1,2,2-tetramethylethylene) bis(5-methoxysalicylideneiminate)]. These two complexes share the same molecular core, [(DCNNQI(center dot-)) - Mn-III -(O)(2) - Mn-III -(DCNNQI(center dot-))], where -(O)(2-) is a biphenolate bridge in the out-of-plane dimerized [Mn-2(5-MeOsaltmen)(2)](2+) moiety. However, their packing arrangements are completely different. Whereas complex 1 is found to be relatively isolated, strong intermolecular dimerization of the DCNNQI moieties ( with the nearest contact being similar to 3.0 angstrom) is observed in 2, forming a one-dimensional chain of [ - Mn-III -( O)(2) - Mn-III (- DCNNQI(center dot-))(2)-](infinity). The magnetic susceptibility of 1 can be modeled with an [ S) 1/2, 2, 2, 1/2] four-spin system including strong antiferromagnetic Mn-III/ DCNNQI radical coupling (J(Mn /rad)/ k(B) = - 23 K) and ferromagnetic Mn-III/ Mn-III coupling through the biphenolate bridge ( J(Mn /Mn)/ k(B) = + 2.0 K). These interactions lead to an S-T = 3 ground state that possesses significant uniaxial anisotropy (D-S=3/ k(B) = - 2.1 K). Low-temperature ac and dc magnetic data of 1 reveal its single-molecule magnet behavior with quantum tunneling of the magnetization. By contrast, 2 possesses the diamagnetic ground state induced by dominating Mn-III - Mn-III antiferromagnetic interactions mediated by the diamagnetic DCNNQI dimers and/or pi - pi contact along the b axis.

  DOI：

  10.1021/ic0519842

文献信息

• Mechanism of the chromium-catalyzed epoxidation of olefins. Role of oxochromium(V) cations
  作者：E. G. Samsel、K. Srinivasan、Jay K. Kochi

  DOI：10.1021/ja00311a064

  日期：1985.12