2,6-bis[[2-hydroxy-(1,1-dimethylethyl)imino]methyl]-4-methylphenol | 1245798-02-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2,6-bis[[2-hydroxy-(1,1-dimethylethyl)imino]methyl]-4-methylphenol
• 英文别名: 2,6-bis((1-hydroxy-2-methylpropan-2-ylimino)methyl)-4-methylphenol；2,6-bis((2,2-dimethyl)-hydroxyethyliminomethyl)-4-methyl phenol；2,6-Bis[(1-hydroxy-2-methylpropan-2-yl)iminomethyl]-4-methylphenol
• CAS: 1245798-02-0
• 化学式: C₁₇H₂₆N₂O₃
• 分子量: 306.405
• InChiKey: ZLRFUQJQBONSIA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  85.4
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  nickel(II) perchlorate hexahydrate 、 2,6-bis[[2-hydroxy-(1,1-dimethylethyl)imino]methyl]-4-methylphenol 、 potassium carbonate 以 甲醇 为溶剂， 反应 3.0h， 以69.7%的产率得到[Ni₆(μ₄-2,6-bis[[2-hydroxy-(1,1-dimethylethyl)imino]methyl]-4-methylphenol)(μ₃-2,6-bis[[2-hydroxy-(1,1-dimethylethyl)imino]methyl]-4-methylphenol)₂(μ₆-CO₃)(H₂O)₈](ClO₄)*9H₂O
  参考文献：
  名称：

  A New Family of Ni₄ and Ni₆ Aggregates from the Self-Assembly of [Ni₂] Building Units: Role of Carboxylate and Carbonate Bridges

  摘要：

  Carboxylato (R = Bu-t and Et) and carbonato bridges have been utilized for nickel(II)-based aggregates [Ni-4(mu-H2L)(2)(mu(3)-OH)(2)(mu 1,3-O(2)CBut)(2)](NO3)(2)center dot H2O center dot 2DMF (1 center dot H2O center dot 2DMF), Ni-4(mu-(HL)-H-hy)(2)(mu(3)-OMe)(2)(mu(1,1)-N-3)(2)(mu(1,3)-O2CEt)(2)]center dot 4H(2)O (2 center dot 4H(2)O), and Ni-6(mu(4)-L)(mu(3)-L)(2)(mu(6)-CO3)(H2O)(8)](ClO4)center dot 9H(2)O (3 center dot 9H(2)O). Building blocks [Ni-2(mu-H2L)](3+), [Ni-2(mu-(HL)-H-hy)](3+), and [Ni-2(mu-L)](+) originating from [Ni-2(mu-H2L)](3+) have been trapped in these complexes. The complexes have been characterized by X-ray crystallography, magnetic measurements, and density functional theory (DFT) analysis. In 1, the magnetic interactions are transmitted through the mu 3-phenoxido/mu 3-hydroxido/syn-syn-tBuCO2-, mu 3-phenoxido/mu 3- hydroxido, and double mu 3-phenoxido/double mu 3-hydroxido bridges with J = +11.4 cm(-1), J1 = -2.1 cm(-1), and J2 = -2.8 cm(-1), respectively. In 2, the interactions are ferromagnetic, with J1 = +27.5 cm(-1), J2 = +20.62 cm(-1), and J3 = +1.52 cm(-1) describing the magnetic couplings through the mu-phenoxidoo/mu 3-methoxido, mu-azido/mu 3-methoxido, and mu 3-methoxido/mu 3-methoxido exchange pathways, respectively. Complex 3 gives J1 = -3.30 cm(-1), J2 = +1.7 cm(-1), and J3 = -12.8 cm(-1) for exchange pathways mediated by mu-phenoxido/mu-carbonato, mu-alkoxido/mu-alkooxido/mu-syn-syn-carbonato, and the mu-phenoxido/mu-carbonato, respectively. Interestingly, 1 and 3 below 20 K and 35 K, respectively, show an abrupt increase of the chi T-M product to reach a magnetic-field-dependent maximum, which is associated with a slightly frequency-dependent out-of-phase alternating-current peak. DFT calculations have also been performed on 1-3 to explain the exchange interaction mechanisms and to support the magnitude and sign of the magnetic coupling constants between the Ni-II ions.

  DOI：

  10.1021/acs.inorgchem.5b00039
• 作为产物：
  描述：

  2,6-二甲酰-4-甲基苯酚 、 2-氨基-2-甲基-1-丙醇 以 甲醇 为溶剂， 反应 1.0h， 生成 2,6-bis[[2-hydroxy-(1,1-dimethylethyl)imino]methyl]-4-methylphenol
  参考文献：
  名称：

  [Mn 3 ]和[Mn 6 ]配位组合中的悬空和水解配体臂：合成，表征和功能活性。

  摘要：

  在配体H 3 L1和H 5 L2中利用酚骨架周围的两个灵活的，分支的且空间受限的二脚架和三脚架侧臂，以分离{Mn 6 }和{Mn 3 }配位聚集体。2,6-双{（1-羟基-2-甲基丙-2-基亚氨基）甲基} -4-甲基苯酚（H 3 L1），得到三核配合物[锰3（μ-H 2 L1）2（μ 1,3 - O 2 CCH 3）4（CH 3 OH）2 ]（ClO 4）2 ·4CH 3 OH（1），而2,6-双[{1-羟基-2-（羟甲基）丁-2-基亚氨基}甲基] -4-甲基苯酚（H 5 L2）提供六核配合物[锰6（μ 4 -H 2 L2）2（μ-HL3）2（μ 3 -OH）2（μ 1,3 -O 2 CC 2 H ^ 5）4 ]（CLO 4）2 ·2H 2 O（2）。乙酸盐的结合和{H 2 L1} -的配位提供了线性Mn III Mn II Mn III安排1。从丙酸酯桥，{H 2 L2} 3–的配位中以2的形式获得了Mn

  DOI：

  10.1021/acs.inorgchem.6b02813

文献信息

• A new water–soluble copper(ii) complex as a selective fluorescent sensor for azide ion
  作者：Koushik Dhara、Uday Chand Saha、Abhijit Dan、Sandipan Sarkar、Mario Manassero、Pabitra Chattopadhyay

  DOI：10.1039/b919937c

  日期：——

  [Cu2(H2L)(OH)(H2O)]·(ClO4)2(H2O)} (1) serves as a selective azide ion fluorescent sensor in aqueous medium. 1 binds with N3− to give [Cu6(HL)2(μ1,1-N3)6] (2) which imposes rigidity and decreases the non-radiative decay of the excited state to give rise to fluorescent enhancement. 1 is highly selective over other various anions in aqueous medium.

  [Cu2(H2L)(OH)(H2O)]·(ClO4)2( )} (1) 在水介质中用作选择性叠氮离子荧光传感器。 1 与 N3− 结合生成 [Cu6(HL)2(μ1,1-N3)6] (2)，其增强刚性并减少激发态的非辐射衰变，从而产生荧光增强。 1 在水性介质中比其他各种阴离子具有更高的选择性。