1,3-bis(N-[3-(dimethylamino)propyl]-N-methylamino)propan-2-ol | 1162763-91-8

• 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-[3-(dimethylamino)propyl]-N-methylamino)propan-2-ol
• 英文别名: 1,3-Bis[3-(dimethylamino)propyl-methylamino]propan-2-ol；1,3-bis[3-(dimethylamino)propyl-methylamino]propan-2-ol
• CAS: 1162763-91-8
• 化学式: C₁₅H₃₆N₄O
• 分子量: 288.477
• InChiKey: OFRRYPPIIRMWTC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  20
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  33.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1,3-bis(N-[3-(dimethylamino)propyl]-N-methylamino)propan-2-ol 、 四苯硼钠 、 nickel(II) acetate tetrahydrate 以 甲醇 为溶剂， 反应 2.0h， 以40%的产率得到
  参考文献：
  名称：

  Synthesis and structures of dinickel(II) complexes with a binucleating ligand, N,N′-bis[3-(N,N-dimethyl)aminopropyl]-N,N′-dimethyl-1,3-diamino-2-hydroxypropane (HL1), and investigation of carboxylic acid capture assisted by intramolecular hydrogen bonding

  摘要：

  New carboxylic-acid-coordinated dinickel(II) complexes with binucleating ligands-HL1, which contains dimethylaminopropyl arms, and its analog HL2, which contains one dimethylaminopropyl arm and one bis(methoxyethyl) arm-both of which contain a 2-hydroxytrimethylene bridge between the two chelating sites, were synthesized. The structures of acetic acid coordinated complexes, [Ni2L1(mu-CH3 COO)(2)(CH3COOH)]BPh4 (1), and [Ni2L2(mu-CH3COO)(2)(CH3COOH)]BPh4 (6), a propionic acid coordinated complex, [Ni2L1(mu-C2H5COO)(2)(C2H5COOH)]BPh4 (3), and a benzoic acid coordinated complex, [Ni2L1 (mu-PhCOO)(2)(PhCOOH)]BPh4 (4) were revealed by X-ray crystallography, as well as those of the parent dinickel(II) complexes [Ni2L1(mu-CH3COO)(2)]BPh4 (2), and [Ni2L2(mu-CH3COO)(2)]BPh4 (5). In complexes 1, 3, 4, and 6, one carboxylic acid molecule is coordinated to one of the dinuclear nickel(II) ions, forming an intramolecular hydrogen bond with a mu-alkoxo bridge. Spectrophotometric investigation revealed that complex 1 underwent partial dissociation of the acetic acid in acetonitrile to give an equilibrium between 1 and 2, and that 2 reversibly associated with an acetic acid molecule in acetonitrile to form 1. Intramolecular hydrogen bonding plays an important role in the stabilization of carboxylic acid coordination to the dinickel(II) complexes with binucleating ligands. (C) 2014 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2014.01.031

文献信息

• Synthesis and structures of zinc complexes with new binucleating ligands containing alkoxide bridges, and their activities in the hydrolysis of tris(p-nitrophenyl)phosphate
  作者：Katsura Mochizuki、Yukiko Ishima、Kiyoharu Hayano

  DOI：10.1016/j.ica.2008.12.012

  日期：2009.6

  sites (1,3-bisN-[3-(dimethylamino)propyl]-N-methylamino}propan-2-ol, HL1; 1,3-bisN-[2-(dimethylamino)ethyl]-N-methylamino}propan-2-ol, HL2; 1,3-bis[bis(2-methoxyethyl)amino]propan-2-ol, HL3; and 1-bis[(2-methoxyethyl)amino]-3-N-[2-(dimethylamino)ethyl]-N-methylamino}propan-2-ol, HL4) were synthesized, along with the corresponding zinc complexes. The structures of three dinuclear zinc complexes ([Z

  摘要四个新的双核配体，在两个配位点之间具有羟基三亚甲基接头（1,3-双N- [3-（二甲基氨基）丙基] -N-甲基氨基}丙-2-醇，HL1; 1,3-双N -[[2-（二甲基氨基）乙基] -N-甲基氨基}丙烷-2-醇，HL2； 1,3-双[双（2-甲氧基乙基）氨基]丙烷-2-醇，HL3；和1-双[（合成了2-甲氧基乙基）氨基] -3- N- [2-（二甲基氨基）乙基] -N-甲基氨基}丙-2-醇，以及相应的锌配合物。三种双核锌配合物（[Zn2L1（μ-CH3COO）2] BPh4（1），[Zn2L3（μ-CH3COO）2] BPh4（3）和[Zn2L4（μ-CH3COO）（CH3COO）（EtOH）的结构通过X射线晶体学显示] BPh4（4））和四核锌络合物（[Zn2L2（μ-CH3COO）] 2（μ-OH）2}（BPh4）2（2））。这些锌络合物在含有5％Tris缓冲液（pH 8
• Synthesis and structures of dinickel(II) complexes with a binucleating ligand, N,N′-bis[3-(N,N-dimethyl)aminopropyl]-N,N′-dimethyl-1,3-diamino-2-hydroxypropane (HL1), and investigation of carboxylic acid capture assisted by intramolecular hydrogen bonding
  作者：Katsura Mochizuki、Junpei Takahashi

  DOI：10.1016/j.ica.2014.01.031

  日期：2014.4

  New carboxylic-acid-coordinated dinickel(II) complexes with binucleating ligands-HL1, which contains dimethylaminopropyl arms, and its analog HL2, which contains one dimethylaminopropyl arm and one bis(methoxyethyl) arm-both of which contain a 2-hydroxytrimethylene bridge between the two chelating sites, were synthesized. The structures of acetic acid coordinated complexes, [Ni2L1(mu-CH3 COO)(2)(CH3COOH)]BPh4 (1), and [Ni2L2(mu-CH3COO)(2)(CH3COOH)]BPh4 (6), a propionic acid coordinated complex, [Ni2L1(mu-C2H5COO)(2)(C2H5COOH)]BPh4 (3), and a benzoic acid coordinated complex, [Ni2L1 (mu-PhCOO)(2)(PhCOOH)]BPh4 (4) were revealed by X-ray crystallography, as well as those of the parent dinickel(II) complexes [Ni2L1(mu-CH3COO)(2)]BPh4 (2), and [Ni2L2(mu-CH3COO)(2)]BPh4 (5). In complexes 1, 3, 4, and 6, one carboxylic acid molecule is coordinated to one of the dinuclear nickel(II) ions, forming an intramolecular hydrogen bond with a mu-alkoxo bridge. Spectrophotometric investigation revealed that complex 1 underwent partial dissociation of the acetic acid in acetonitrile to give an equilibrium between 1 and 2, and that 2 reversibly associated with an acetic acid molecule in acetonitrile to form 1. Intramolecular hydrogen bonding plays an important role in the stabilization of carboxylic acid coordination to the dinickel(II) complexes with binucleating ligands. (C) 2014 Elsevier B. V. All rights reserved.