4-Methyl-2,6-bis-piperidinomethyl-phenol | 95380-40-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 4-Methyl-2,6-bis-piperidinomethyl-phenol
• 英文别名: 4-Methyl-2,6-bis(1-piperidinylmethyl)phenol；4-methyl-2,6-bis(piperidin-1-ylmethyl)phenol
• CAS: 95380-40-8
• 化学式: C₁₉H₃₀N₂O
• 分子量: 302.46
• InChiKey: OBMRKNTWRSFMQZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  26.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  哌啶 、 对甲酚 在 聚合甲醛 、 乙醇 作用下， 生成 4-Methyl-2,6-bis-piperidinomethyl-phenol
  参考文献：
  名称：

  US2855399

  摘要：

  公开号：

文献信息

• New Mannich base ligands
  作者：JH Hodgkin

  DOI：10.1071/ch9842371

  日期：——

  A series of low-molecular-weight aminomethylphenol compounds have been synthesized as model analogues of new Cu2+ and Fe3+ chelating polymers. Preliminary colour tests with these two ions were used to indicate the structural features essential for polymer chelate formation.

  一系列 一系列低分子量的氨基甲基苯酚化合物 作为新型 Cu2+ 和 Fe3+ 螯合聚合物的模型类似物被合成出来。 螯合聚合物。用这两种离子进行初步颜色测试 用这两种离子进行的初步颜色测试表明了形成聚合物螯合物所必需的结构特征。 聚合物螯合物形成所必需的结构特征。
• From Tetranuclear 4-Oxo to 4-Peroxocopper(II) Complexes
  作者：Jörg Reim、Rüdiger Werner、Wolfgang Haase、Bernt Krebs

  DOI：10.1002/(sici)1521-3765(19980210)4:2<289::aid-chem289>3.3.co;2-u

  日期：1998.2.10

  The mu(4)-peroxotetracopper(II) complexes [Cu-4(L-1)(2)(O-2)(OMe)(2)(ClO4)]-ClO4 . MeOH (I), [Cu-4(L-2)(2)(O-2)-(OMe)(2)(ClO4)]ClO4 . MeOH (2), [Cu-4-(L-3)(2)(O-2) (OMe)(2)(ClO4)]ClO4 . MeOH (3) and the mu(4)-oxotetracopper(II) complex [Cu-4(L-1)(2)(O)(OH)(2)(MeOH)(2)-(ClO4)(2)] (4) were synthesized (HL1= 2,6-bis(pyrrolidinomethyl)-4-methylphenol, HL2=2,6-bis(piperidinomethyl)4-methylphenol, HL3=2,6-bis(morpholinomethyl)-4-methylphenol). The molecular structures of 1 and 4 were established by single-crystal X-ray crystallography. I crystallizes in the monoclinic space group P2/n, with a=14.797(8), b=11.007(7), c= 15.434(10) Angstrom, beta=118.29 degrees, V=2214 Angstrom(3) (150 K) and Z=2. Complex 4 crystallizes in the monoclinic space group P2(1)/n, with a=11.498(2), b=13.311(3), c= 14.794(3) Angstrom, beta = 93.56(3)degrees, V = 2259.9 Angstrom(3) (213 K) and Z=2. Electrospray ionization mass spectra of 1 and 4 in dichloromethane solution confirm that the tetranuclear structure is maintained in this solvent. The UV/Vis spectra of 1-3 in dichloromethane are dominated by a very strong absorption at about 390 nm with a shoulder around 420-440nm interpreted as a superposition of a peroxo-->Cu-II and a phenolate-->Cu-II charge-transfer transition. A band at about 580 nm may be a superposition of d-d transitions and a second, less intense peroxo-->Cu-II charge transfer. The frequencies of the O-O stretching vibrations of 1-3 were determined by FT Raman and resonance Raman experiments and found to be 878, 898 and 888 cm(-1), respectively. A frequency shift to 841 cm(-1) is observed upon O-18 substitution in 1. The tetranuclear copper(Ir) complexes 1 and 4 are strongly antiferromagnetically coupled. They possess S=0 ground states separated from a triplet state by 510 and 720 cm-l, respectively. Good fits result from a regular spin Hamiltonian as well as from the Bleaney-Bowers equation, which shows that only the two lowest-lying states are notably thermally populated. Magnetostructural correlations established for dimeric complexes are not easily transferable to these kinds of tetrameric complexes. Investigations in methanolic solution provide evidence that a tetranuclear mu(4)-oxocopper(II) complex analogous to 4 can be converted into a tetranuclear mu(4)-peroxocopper-(II) complex analogous to 1.
• HODGKIN, J. H., AUSTRAL. J. CHEM., 1984, 37, N 11, 2371-237
  作者：HODGKIN, J. H.

  DOI：——

  日期：——
• US3935160A
  申请人：——

  公开号：US3935160A

  公开（公告）日：1976-01-27