4-methyl-2-([methyl(2-pyridin-2-ylethyl)amino]methyl)-6-[(3-methylsulfanylpropylimino)methyl]phenol | 561001-38-5

• 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: 4-methyl-2-([methyl(2-pyridin-2-ylethyl)amino]methyl)-6-[(3-methylsulfanylpropylimino)methyl]phenol
• 英文别名: 4-Methyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-6-(3-methylsulfanylpropyliminomethyl)phenol；4-methyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-6-(3-methylsulfanylpropyliminomethyl)phenol
• CAS: 561001-38-5
• 化学式: C₂₁H₂₉N₃OS
• 分子量: 371.547
• InChiKey: BLYPFRHHFJIYSJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  26
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  74
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  甲醇 、 4-methyl-2-([methyl(2-pyridin-2-ylethyl)amino]methyl)-6-[(3-methylsulfanylpropylimino)methyl]phenol 、 sodium thiocyanide 、 nickel(II) acetate tetrahydrate 以 甲醇 为溶剂， 以58%的产率得到
  参考文献：
  名称：

  Oligonuclear nickel(II) complexes of asymmetric compartmental ligands bearing adjacent {N2O} and {N,S,O} donor sets

  摘要：

  Asymmetric compartmental proligands bearing adjacent {N2O} and {NSO} donor sets have been prepared and used in complexation reactions with nickel(II). [4-Methyl-2-{[methyl-(2-pyridin-2-yl-ethyl)amino]methyl}-6-[(2-methylsulfanyl phenyl imino)methyl]phenol (HL3) and 2-{[(3-dimethylamino-propyl)methylamino]methyl}-4-methyl-6-[(2-methylsulfanylphenyl imino)methyl]phenol (HL4) gave the dinuclear nickel(II) complexes, [Ni-2(L-3)(AcO)(NCS)(2)(CH3CN)] (3), Ni-2(L-4)(AcO)(2)(NCS)] (4), whereas 4-methyl-2-{[methyl(2-pyridin-2-yl-ethyl)amino]-methyl}-6-[(2-methylsulfanylethylimino)-methyl]-phenol (HL5) and 4-methyl-2-{[methyl(2-pyridin-2-yl-ethyl)amino]methyl}-6-[(3-methylsulfanylpropylimino) methyl]-phenol (HL6), gave the trinuclear nickel(II) complexes [Ni-3(L-5)(2)(OAc)(2)(NCS)(2)].2H(2)O (5) and [Ni-3(L-6)(2)(OAc)(2)(NCS)(2)].MeOH (6). The crystal structures of 3-6 are reported. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(02)01386-5

文献信息

• Oligonuclear nickel(II) complexes of asymmetric compartmental ligands bearing adjacent {N2O} and {N,S,O} donor sets
  作者：Harry Adams、Scott Clunas、David E Fenton、Thomas J Gregson、Paul E McHugh、Sharon E Spey

  DOI：10.1016/s0020-1693(02)01386-5

  日期：2003.3

  Asymmetric compartmental proligands bearing adjacent N2O} and NSO} donor sets have been prepared and used in complexation reactions with nickel(II). [4-Methyl-2-[methyl-(2-pyridin-2-yl-ethyl)amino]methyl}-6-[(2-methylsulfanyl phenyl imino)methyl]phenol (HL3) and 2-[(3-dimethylamino-propyl)methylamino]methyl}-4-methyl-6-[(2-methylsulfanylphenyl imino)methyl]phenol (HL4) gave the dinuclear nickel(II) complexes, [Ni-2(L-3)(AcO)(NCS)(2)(CH3CN)] (3), Ni-2(L-4)(AcO)(2)(NCS)] (4), whereas 4-methyl-2-[methyl(2-pyridin-2-yl-ethyl)amino]-methyl}-6-[(2-methylsulfanylethylimino)-methyl]-phenol (HL5) and 4-methyl-2-[methyl(2-pyridin-2-yl-ethyl)amino]methyl}-6-[(3-methylsulfanylpropylimino) methyl]-phenol (HL6), gave the trinuclear nickel(II) complexes [Ni-3(L-5)(2)(OAc)(2)(NCS)(2)].2H(2)O (5) and [Ni-3(L-6)(2)(OAc)(2)(NCS)(2)].MeOH (6). The crystal structures of 3-6 are reported. (C) 2002 Elsevier Science B.V. All rights reserved.