2,5-Bis[(1,3-dihydroxy-2-methylpropan-2-yl)iminomethyl]benzene-1,4-diol | 335277-22-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2,5-Bis[(1,3-dihydroxy-2-methylpropan-2-yl)iminomethyl]benzene-1,4-diol
• CAS: 335277-22-0
• 化学式: C₁₆H₂₄N₂O₆
• 分子量: 340.376
• InChiKey: IIZLOLIXTJFBRG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.9
• 重原子数：
  24
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  146
• 氢给体数：
  6
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  甲醇 、 bis(acetylacetonato)dioxomolybdenum(VI) 、 2,5-Bis[(1,3-dihydroxy-2-methylpropan-2-yl)iminomethyl]benzene-1,4-diol 以 甲醇 为溶剂， 以40%的产率得到
  参考文献：
  名称：

  Preparation and properties of dinuclear dioxomolybdenum(VI) complexes with ONO–ONO-type hexadentate Schiff base ligands

  摘要：

  Preparation and properties of dinuclear cis-dioxomolybdenum(VI) complexes containing ONO-ONO-type hexadentate Schiff bases derived from 2,5-dihydroxyterephthalaldehyde and aminoalcohols in a 1:2 molar ratio are reported. When 2-amino-2methyl-1,3-propanediol was used as the aminoalcohol, the H-1 NMR spectrum of the complex showed two sets of resonances, indicating the presence of two isomers. The origin of the isomerism was elucidated by variable-temperature H-1 NMR spectroscopy and by comparing the H-1 NMR spectrum with those of the analogous dinuclear complexes derived from (1R,2S)- and (1S,2R)-norephedrine and with those of the corresponding mononuclear complexes. The Schiff base ligand derived from 2,5-dihydroxyterephthalaldehyde and 2-amino-2-methyl-1,3-propanediol contains two prochiral carbon atoms, which become chiral (R and S) upon coordination. The combination of these two chiral centers generates three stereoisomers, RR, SS, and RS (= SR), and the NMR characteristics were accounted for by these isomers. (C) 2000 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(00)00304-2