1,4-bis((pyridin-2-ylmethylene)amino)butan-2-ol | 1227279-67-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1,4-bis((pyridin-2-ylmethylene)amino)butan-2-ol
• CAS: 1227279-67-5
• 化学式: C₁₆H₁₈N₄O
• 分子量: 282.345
• InChiKey: QEBXYGGNIJLLBL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.77
• 重原子数：
  21.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  70.73
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  1,4-bis((pyridin-2-ylmethylene)amino)butan-2-ol 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 1.0h， 以320 mg的产率得到N,N'-bis(2-pyridylmethyl)-1,4-diaminobutan-2-ol
  参考文献：
  名称：

  Evaluating Binuclear Copper(II) Complexes for Glycoside Hydrolysis

  摘要：

  Three binuclear copper(II) complexes were characterized as solids by X-ray diffraction and in solution by UV/vis spectrophotometric titration, and subsequently evaluated for their glycosidase-like activity. The structure analysis revealed comparable intermetallic Cu center dot center dot center dot Cu distances (similar to 3.5 angstrom) for the complexes 2 and 3. Despite this similarity, the composition of the complexes differs significantly in aqueous solution as revealed by spectrophotometric titrations. The hydrolysis of selected nitrophenylglycopyranosides is up to 11,000-fold accelerated over background in the presence of the copper(II) complexes in 3-(cyclohexylamino)-1-propanesulfonic acid (CAPS) buffer at pH 10.5 and 30 degrees C.

  DOI：

  10.1021/ic9014064
• 作为产物：
  描述：

  吡啶-2-甲醛 、 (RS)-hydroxyputrescine dihydrochloride 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 0.5h， 生成 1,4-bis((pyridin-2-ylmethylene)amino)butan-2-ol
  参考文献：
  名称：

  Evaluating Binuclear Copper(II) Complexes for Glycoside Hydrolysis

  摘要：

  Three binuclear copper(II) complexes were characterized as solids by X-ray diffraction and in solution by UV/vis spectrophotometric titration, and subsequently evaluated for their glycosidase-like activity. The structure analysis revealed comparable intermetallic Cu center dot center dot center dot Cu distances (similar to 3.5 angstrom) for the complexes 2 and 3. Despite this similarity, the composition of the complexes differs significantly in aqueous solution as revealed by spectrophotometric titrations. The hydrolysis of selected nitrophenylglycopyranosides is up to 11,000-fold accelerated over background in the presence of the copper(II) complexes in 3-(cyclohexylamino)-1-propanesulfonic acid (CAPS) buffer at pH 10.5 and 30 degrees C.

  DOI：

  10.1021/ic9014064