2-(hydroxymethyl)-2-((3-hydroxynaphthalen-2-yl)methyleneamino)propane-1,3-diol | 1464153-38-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-(hydroxymethyl)-2-((3-hydroxynaphthalen-2-yl)methyleneamino)propane-1,3-diol
• 英文别名: 2-(Hydroxymethyl)-2-[(3-hydroxynaphthalen-2-yl)methylideneamino]propane-1,3-diol
• CAS: 1464153-38-5
• 化学式: C₁₅H₁₇NO₄
• 分子量: 275.304
• InChiKey: WCTBCFJFRYELHD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  93.3
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  甲醇 、 2-(hydroxymethyl)-2-((3-hydroxynaphthalen-2-yl)methyleneamino)propane-1,3-diol 、 manganese (II) acetate tetrahydrate 在 氧气 、 三乙胺 作用下， 以40%的产率得到
  参考文献：
  名称：

  Employment of a naphthalene-based tetraol ligand in Mn chemistry: Mononuclear and linear trinuclear clusters

  摘要：

  The reaction of MnBr2 center dot 4H(2)O with 2-(hydroxymethyl)-2-(3-hydroxynaphthalen-2-yl)methyleneamino)propane-1,3-diol (LH4) in MeOH, afforded the complex [Mn-IV(LH2)(2)]center dot MeOH(1 center dot MeOH) in very good yield. Repeating the same reaction and replacing MnBr2 4H(2)O with Mn(OAc)(2)center dot 4H(2)O gave the complex [(Mn2MnII)-Mn-III(LH2)(2)(OAc)(4)(MeOH)(2)]center dot 4MeOH (2 center dot 4MeOH) in good yield. Finally, the reaction of Mn(OAc)(2)center dot 4H(2)O, with LH4 and PhCOONa in the presence of NEt3 in MeOH, afforded the complex [(Mn2MnII)-Mn-III(LH2)(2) (OAc)(2)(O2CPh)(2)(MeOH)(2)]center dot MeOH (3 center dot MeOH) in moderate yield. The crystal structures of 1-3 have been determined by single-crystal X-ray crystallography. Complex 1 is a mononuclear Mn-IV complex, in which the metal ion is found in a trans-O4N2 octahedral environment. Complex 2 is a mixed-valent linear [(Mn2MnII)-Mn-III] cluster in which the central Mn-II ion is connected via carboxylates and monoatomic bridges from the tetraol ligands to the two terminal Mn-II ions, while cluster 3 can be regarded as the "incomplete" benzoate analogue of complex 2. DC magnetic susceptibility studies were performed on a polycrystalline samples of 2 and 3, revealing the presence of antiferromagnetic interactions within the clusters leading to an S = 1/2 ground-state for both complexes. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.02.029