1,3-bis[N-methyl-N-(2-pyridylethyl)amino]propan-2-ol | 301661-36-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1,3-bis[N-methyl-N-(2-pyridylethyl)amino]propan-2-ol
• 英文别名: 1,3-Bis[methyl(2-pyridin-2-ylethyl)amino]propan-2-ol
• CAS: 301661-36-9
• 化学式: C₁₉H₂₈N₄O
• 分子量: 328.458
• InChiKey: CAMHPDLNEAXQDD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  24
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  52.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  copper(II) perchlorate hexahydrate 、 1,3-bis[N-methyl-N-(2-pyridylethyl)amino]propan-2-ol 、 sodium azide 在 triethylamine 作用下， 以 乙醇 为溶剂， 以58%的产率得到[(1,3-bis[N-methyl-N-(2-pyridylethyl)amino]propan-2-olato)perchloratoaqua(μ-1,1-azido)dicopper(II)]perchlorate hydrate
  参考文献：
  名称：

  Magnetic interactions in dicopper(II) complexes of a new endogenous alkoxo bridging ligand with exogenous pyrazolate, azide and acetate bridges. X-ray structure of [Cu2L(μ-C3H3N2)(OClO3)(H2O)](ClO4)·H2O (HL=1,3-bis[N-methyl-N-(2-pyridylethyl)amino]propan-2-ol)

  摘要：

  Using a new dinucleating ligand, 1,3-bis[N-methyl-N-(2-pyridylethyl)amino]propan-2-ol (HL), in its deprotonated form, three new binuclear copper(II) complexes [Cu-2(L)(mu-X)(ClO4)(H2O)](ClO4). H2O (X = C3H3N2- (prz). N-3(-) and MeCO2-) have been synthesized. The crystal structure of pyrazolate (prz) compound was determined and revealed that the complex contains an endogenous bridging alkoxide ligand and an exogenous bridging prz ligand. A water molecule is coordinated to a copper(II) center and is hydrogen-bonded to the alkoxide O atom. A perchlorate ion is 'semi-coordinated' to another copper(II) center as a monodentate ligand and is hydrogen-bonded to a second water molecule. The coordination geometry around both copper centers resembles a distorted square pyramid. The magnetochemical characteristics of these compounds were determined by temperature-dependent magnetic studies, revealing their antiferromagnetic behavior [-2J (in cm(-1)) values: 550 +/- 25 for prz, 360 +/- 10 for azide and 100 +/- 10 for acetate]. The ground state magnetic orbital involved in spin coupling is similar (d(x2-y2)) in these complexes. Differences in the magnetic behavior have been rationalized in terms of the bridging ligand orbital complementary/countercomplementary concept. Spectroscopic properties of these complexes are also reported. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(00)00391-0