5-tert-butyl-2-hydroxy-3-(N'-acylpiperazinomethyl)benzaldehyde | 919109-51-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-tert-butyl-2-hydroxy-3-(N'-acylpiperazinomethyl)benzaldehyde
• 英文别名: 3-[(4-Acetylpiperazin-1-yl)methyl]-5-tert-butyl-2-hydroxybenzaldehyde；3-[(4-acetylpiperazin-1-yl)methyl]-5-tert-butyl-2-hydroxybenzaldehyde
• CAS: 919109-51-6
• 化学式: C₁₈H₂₆N₂O₃
• 分子量: 318.416
• InChiKey: FSJMSTIEHLCPPR-UHFFFAOYSA-N

物化性质

• 熔点：
  90-92 °C
• 沸点：
  447.9±45.0 °C(Predicted)
• 密度：
  1.158±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  60.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-tert-butyl-2-hydroxy-3-(N'-acylpiperazinomethyl)benzaldehyde 在 盐酸 作用下， 以 甲醇 为溶剂， 反应 168.0h， 生成
  参考文献：
  名称：

  The one-pot halomethylation of 5-substituted salicylaldehydes as convenient precursors for the preparation of heteroditopic ligands for the binding of metal salts

  摘要：

  The one-pot bromo- and chloro-methylation of various 5-substituted salicylaldehydes with paraformaldehyde and hydrobromic or hydrochloric acid has been achieved. This approach establishes a convenient and flexible method to attach functional arms to salicylaidehydes for further applications in organic and coordination chemistry. Examples are described using 3-bromomethyl-5-t-butylsalicylaldehyde in the synthesis of piperazine-containing heteroditopic ligands as receptors for metal salts. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.09.149
• 作为产物：
  描述：

  5-叔丁基-2-羟基苯甲醛 在 硫酸 、 水 、 氢溴酸 、 potassium hydrogencarbonate 作用下， 以 乙腈 为溶剂， 反应 26.0h， 生成 5-tert-butyl-2-hydroxy-3-(N'-acylpiperazinomethyl)benzaldehyde
  参考文献：
  名称：

  The one-pot halomethylation of 5-substituted salicylaldehydes as convenient precursors for the preparation of heteroditopic ligands for the binding of metal salts

  摘要：

  The one-pot bromo- and chloro-methylation of various 5-substituted salicylaldehydes with paraformaldehyde and hydrobromic or hydrochloric acid has been achieved. This approach establishes a convenient and flexible method to attach functional arms to salicylaidehydes for further applications in organic and coordination chemistry. Examples are described using 3-bromomethyl-5-t-butylsalicylaldehyde in the synthesis of piperazine-containing heteroditopic ligands as receptors for metal salts. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.09.149

文献信息

• Anion Selectivity in Zwitterionic Amide-Functionalised Metal Salt Extractants
  作者：Stuart G. Galbraith、Qiang Wang、Li Li、Alexander J. Blake、Claire Wilson、Simon R. Collinson、Leonard F. Lindoy、Paul G. Plieger、Martin Schröder、Peter A. Tasker

  DOI：10.1002/chem.200601874

  日期：2007.7.16

  [Cu(L-2H)], are selective for Cl- over SO4(2-) in both solvent extraction and bulk liquid membrane transport experiments and were found to bind Cl- in two steps via the formation of a 1:1:1 [Cu(L-H)Cl] assembly, followed by a 1:1:2 [Cu(L)Cl2] assembly as the pH of the aqueous phase is lowered. The anion transport selectivity was evaluated for a number of other mono-charged anions and interestingly

  能够提取金属盐的酰胺官能化的Salen配体已经合成并表征。NiSO4 [Ni（L）（SO4）]配合物的单晶X射线结构测定证实离子载体为两性离子形式，Ni（II）结合在去质子化的salen部分和SO4（2-）中与质子化侧链N'-氨基哌嗪基团相关的离子。用碱处理[Ni（L）（SO4）]会从酰胺基侧基中去除质子，从而导致SO4（2-）离子损失并形成[Ni（L-2H）型仅金属配合物]，其已通过单晶X射线衍射表征。适用于溶剂萃取研究的具有三种溶解度的配体显示出适合从工业浸出溶液中回收CuSO4或CuCl2的加载和汽提pH曲线。仅铜络合物[Cu（L-2H）]在溶剂萃取和体液膜转运实验中对SO4（2-）的Cl-具有选择性，并发现通过形成二价键可分两个步骤与Cl-结合。 1：1：1的[Cu（LH）Cl]组合物，然后是1：1：2的[Cu（L）Cl2]组合物，因为水相的pH降低了。评估了许多其他单电荷阴离子的
• The one-pot halomethylation of 5-substituted salicylaldehydes as convenient precursors for the preparation of heteroditopic ligands for the binding of metal salts
  作者：Qiang Wang、Claire Wilson、Alexander J. Blake、Simon R. Collinson、Peter A. Tasker、Martin Schröder

  DOI：10.1016/j.tetlet.2006.09.149

  日期：2006.12

  The one-pot bromo- and chloro-methylation of various 5-substituted salicylaldehydes with paraformaldehyde and hydrobromic or hydrochloric acid has been achieved. This approach establishes a convenient and flexible method to attach functional arms to salicylaidehydes for further applications in organic and coordination chemistry. Examples are described using 3-bromomethyl-5-t-butylsalicylaldehyde in the synthesis of piperazine-containing heteroditopic ligands as receptors for metal salts. (c) 2006 Elsevier Ltd. All rights reserved.