1-[(Tetrahydrofuran-2-ylmethylimino)methyl]-2-naphthol

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-[(Tetrahydrofuran-2-ylmethylimino)methyl]-2-naphthol
• 英文别名: 1-(oxolan-2-ylmethyliminomethyl)naphthalen-2-ol
• 化学式: C₁₆H₁₇NO₂
• 分子量: 255.316
• InChiKey: YDNZNCPBDSCZFD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  41.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-[(Tetrahydrofuran-2-ylmethylimino)methyl]-2-naphthol 、 copper(ll) bromide 以 甲醇 为溶剂， 反应 0.17h， 以58%的产率得到
  参考文献：
  名称：

  Synthesis, structure and urease inhibition studies of dimeric copper(II) complexes with a tridentate Schiff base ligand derived from tetrahydrofurfurylamine

  摘要：

  Three new dimeric copper(II) complexes with general formula Cu-2(L)(2)X-2, where L is a tridentate O,N,O-donor Schiff base ligand derived from tetrahydrofurfurylamine, have been synthesized and structurally characterized. X-ray single crystal studies reveal that complexes 1, 2 and 3 possess a centrosymmetric dimeric core Cu2X2 (X = Cl, Br and SCN) and the copper(II) centers sit in slightly distorted square pyramidal coordination geometry (tau = 0.02-0.09). The urease inhibitory activities of the obtained copper(II) complexes have been tested in vitro against jack bean urease, and the results show that these copper(II) complexes exhibit potent inhibitory activities with IC50 ranges of 7.20-11.00 mu M. Molecular docking analysis using DOCK program has also been conducted to gain further understanding of the inhibitory activities. (c) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.08.021
• 作为产物：
  描述：

  2-四氢糠胺 、 2-羟基-1-萘甲醛 以 甲醇 为溶剂， 反应 1.0h， 生成 1-[(Tetrahydrofuran-2-ylmethylimino)methyl]-2-naphthol
  参考文献：
  名称：

  Synthesis, structure and urease inhibition studies of dimeric copper(II) complexes with a tridentate Schiff base ligand derived from tetrahydrofurfurylamine

  摘要：

  Three new dimeric copper(II) complexes with general formula Cu-2(L)(2)X-2, where L is a tridentate O,N,O-donor Schiff base ligand derived from tetrahydrofurfurylamine, have been synthesized and structurally characterized. X-ray single crystal studies reveal that complexes 1, 2 and 3 possess a centrosymmetric dimeric core Cu2X2 (X = Cl, Br and SCN) and the copper(II) centers sit in slightly distorted square pyramidal coordination geometry (tau = 0.02-0.09). The urease inhibitory activities of the obtained copper(II) complexes have been tested in vitro against jack bean urease, and the results show that these copper(II) complexes exhibit potent inhibitory activities with IC50 ranges of 7.20-11.00 mu M. Molecular docking analysis using DOCK program has also been conducted to gain further understanding of the inhibitory activities. (c) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.08.021