1,3-bis{(2-hydroxybenzyl)(2-pyridylmethyl)amino}propan-2-ol | 145522-02-7

• 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: 1,3-bis{(2-hydroxybenzyl)(2-pyridylmethyl)amino}propan-2-ol
• 英文别名: 1,3-bis(2-hydroxybenzyl(pyridin-2-ylmethyl)amino)propane-2-ol；N,N'-bis(2-pyridylmethyl)-N,N'-bis(2-hydroxybenzyl)-1,3-diaminopropan-2-ol；N,N',N,N'-bis[(2-hydroxybenzyl)(methylpyridyl)]-2-ol-1,3-propanediamine；N,N'-bis(2-hydroxybenzyl)-N,N'-(2-methylpyridyl)-1,3-propanediamine-2-ol；H3bbppnol；2-[[[2-Hydroxy-3-[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]propyl]-(pyridin-2-ylmethyl)amino]methyl]phenol
• CAS: 145522-02-7
• 化学式: C₂₉H₃₂N₄O₃
• 分子量: 484.598
• InChiKey: SXCBWUYDLFPOTP-UHFFFAOYSA-N

物化性质

• 沸点：
  697.1±55.0 °C(Predicted)
• 密度：
  1.266±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  36
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  93
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  1,3-bis{(2-hydroxybenzyl)(2-pyridylmethyl)amino}propan-2-ol 、 manganese (II) acetate tetrahydrate 在 Et₃N 作用下， 以 甲醇 为溶剂， 以38%的产率得到(N,N'-bis(2-hydroxybenzyl)-N,N'-(2-methylpyridyl)-1,3-propanediamine-2-olate)dimanganese(II,III)diacetate
  参考文献：
  名称：

  Homogeneous and heterogeneous olefin epoxidation catalyzed by a binuclear Mn(II)Mn(III) complex

  摘要：

  The synthesis and characterization of a binuclear carboxylated bridged manganese complex containing the heptadentate ligand N,N'-bis(2-hydroxybenzyl)-N,N'-bis(2-methylpyridyl)-2-ol-1,3-propanediamine (H(3)bbppnol) is reported. This complex was characterized by elemental analysis; infrared, electronic (UV-vis) and EPR spectroscopy: and conductivity measurements. The complex was immobilized on silica by either adsorption or entrapment via a sol-gel route. The obtained solids were characterized by thermogravimetric analyses (TG and DSC), UV-vis and infrared spectroscopy, and X-ray diffraction. The catalytic performance of the binuclear manganese complex in epoxidation reactions was evaluated for both homogeneous and heterogeneous systems. The catalytic investigation revealed that the complex performs well as an epoxidation catalyst for the substrates cyclohexene (26-39%) and cyclooctene (29-74%). The solids containing the immobilized complex can be recovered front the reaction medium and reused, maintaining good catalytic activity. (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2008.10.037

文献信息

• Catalytic effect of a dinuclear complex in the hydrolysis of bis(2,4-dinitrophenyl) phosphate
  作者：Elisane Longhinotti、Josiel B. Domingos、Bruno Szpoganicz、Ademir Neves、Faruk Nome

  DOI：10.1016/j.ica.2004.12.052

  日期：2005.3

  Abstract The kinetics of the hydrolysis of bis(2,4-dinitrophenyl) phosphate (BDNPP) has been studied in the presence of a dinuclear Fe(III) complex that acts as a catalyst in the hydrolytic reaction. One equivalent of the 2,4-dinitrophenolate ion (DNP) and one equivalent of 2,4-dinitrophenylphosphate (DNPP) were liberated for each equivalent of BDNPP, and the reaction showed first-order kinetics in

  摘要在双核Fe（III）配合物的存在下研究了双（2,4-二硝基苯基）磷酸酯（BDNPP）的水解动力学，该配合物在水解反应中起催化剂的作用。对于每当量的BDNPP，释放出一当量的2,4-二硝基苯酚离子（DNP）和一当量的2,4-二硝基苯基磷酸酯（DNPP），并且该反应相对于BDNPP和金属离子均显示出一级动力学复杂的。双核络合物的电位滴定与金属配位的水分子的两个去质子化常数一致，p K a值为4.88和6.33，反应显示出pH依赖性，与Fe 2（OH）（OH 2）形式一致作为水解反应过程中的反应性物质。反应动力学表明，溶剂同位素的反作用为0.44，
• Zinc(ii) complexes of tetrapodal ligands derived from tetra-substituted 1,n-diaminoalcohols
  作者：Harry Adams、Darren Bradshaw、David E. Fenton

  DOI：10.1039/b110264h

  日期：2002.3.8

  Dinuclear zinc(II) complexes have been prepared from one non-symmetric and two symmetric compartmental ligands in which the pendant arms, bearing pyridyl and phenolic functions, are bridged by spacers derived from 1,n-diaminoalcohols. The X-ray crystal structures of four complexes [Zn2L1(OAc)](ClO4)2·CH3OH (1a), [Zn2L1(OAc)](BPh4)2·6H2O (2a), [Zn2L2(OAc)](PF6)2 (4a) and [Zn2L3(OAc)] ·2.5H2O·1.5CH3OH (8a) are reported.

  双核锌(II)配合物是由一种非对称和两种对称配体制备而成，其中带有吡啶基和酚官能团的侧臂通过衍生自1,n-二氨基醇的间隔基桥接。四种配合物[Zn2L1(OAc)](ClO4)2·CH3OH (1a)、[Zn2L1(OAc)](BPh4)2·6H2O (2a)、[Zn2L2(OAc)](PF6)的X射线晶体结构报道了2(4a)和[Zn2L3(OAc)]·2.5H2O·1.5CH3OH(8a)。
• Crystal structure, spectral and magnetic properties of a new (μ-acetate) (μ-alkoxide) dicopper (II) complex as a model for tyrosinase
  作者：Ademir Neves、Liane M. Rossi、Ivo Vencato、Valderes Drago、Wolfgang Haase、Rüdiger Werner

  DOI：10.1016/s0020-1693(98)00142-x

  日期：1998.10

  The synthesis, the X-ray crystal structure and the spectroscopic and magnetic properties of a new (μ-acetate) (μ-alkoxide) dicopper(II) complex with the dinucleating ligand N,N′,N,N′-bis[(2-hydroxybenzyl)(methylpyridyl)]-2-ol-1,3-propanediamine (H3bbppnol) are reported. Both copper (II) ions have distorted octahedral CuN2O4 surroundings. This complex represents the first example of a binuclear (μ-acetate)

  合成中，X射线晶体结构和光谱和一个新的（μ-乙酸酯）的磁特性（μ-醇盐）亚铜（II）络合物与配体dinucleating Ñ，Ñ '，Ñ，Ñ ' -双[（报道了2-羟基苄基）（甲基吡啶基）]-2-醇-1,3-丙二胺（H 3 bbppnol）。两种铜（II）离子均扭曲了八面体CuN 2 O 4的周围环境。该络合物代表具有八面体几何形状的双核（乙酸盐）（μ-醇盐）铜（II）络合物的第一个实例，该络合物包含与每个铜（II）离子轴向配位且无去质子化作用的酚基团（平均Cu（II）OH苯酚距离，2.44Å）。
• A new N,O-donor binucleating ligand and its first iron(III) complex as a model for the purple acid phosphatases
  作者：Ademir Neves、Sueli M.D. Erthal、Valderes Drago、Klaus Griesar、Wolfgang Haase

  DOI：10.1016/s0020-1693(00)84953-1

  日期：1992.7
• Krebs; Schepers; Bremer, Inorganic Chemistry, 1994, vol. 33, # 9, p. 1907 - 1914
  作者：Krebs、Schepers、Bremer、Henkel、Althaus、Müller-Warmuth、Griesar、Haase

  DOI：——

  日期：——