4-hydroxy-3,5-bis(2,5,8,11-tetraoxadodecan-1-yl)-1H-pyrazole | 221347-44-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-hydroxy-3,5-bis(2,5,8,11-tetraoxadodecan-1-yl)-1H-pyrazole
• 英文别名: 3,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-1H-pyrazol-4-ol
• CAS: 221347-44-0
• 化学式: C₁₉H₃₆N₂O₉
• 分子量: 436.503
• InChiKey: HFOMRIVLCUZWGV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.7
• 重原子数：
  30
• 可旋转键数：
  22
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  123
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  溴甲苯 、 4-hydroxy-3,5-bis(2,5,8,11-tetraoxadodecan-1-yl)-1H-pyrazole 在 sodium hydroxide 作用下， 以60%的产率得到4-benzyloxy-3,5-bis(2,5,8,11-tetraoxadodecan-1-yl)-1H-pyrazole
  参考文献：
  名称：

  Selective dopamine receptors: Synthesis, complexing properties, and molecular modelling studies of new podands derived from 4-hydroxy-1H-pyrazole

  摘要：

  New podands derived from 4-hydroxy-1H-pyrazole have been prepared. Their complexing properties towards cations (Na+, K+, NH4+) and some neurotransmitters (dopamine and norepinephrine) have been studied, using biphasic extraction experiments, molecular modelling, and a NMR titration. Podand 10, 1-benzyl-4-hydroxy-3,5-bis(2, 5, 8, 11-tetraoxadodecan-l-yl)-1H-pyrazole, showed an interesting selective complexation of dopamine. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00047-2
• 作为产物：
  描述：

  三甘醇单甲醚 在 palladium on activated charcoal 氢气 、 sodium hydride 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 50.0~60.0 ℃ 、344.74 kPa 条件下， 反应 50.0h， 生成 4-hydroxy-3,5-bis(2,5,8,11-tetraoxadodecan-1-yl)-1H-pyrazole
  参考文献：
  名称：

  Selective dopamine receptors: Synthesis, complexing properties, and molecular modelling studies of new podands derived from 4-hydroxy-1H-pyrazole

  摘要：

  New podands derived from 4-hydroxy-1H-pyrazole have been prepared. Their complexing properties towards cations (Na+, K+, NH4+) and some neurotransmitters (dopamine and norepinephrine) have been studied, using biphasic extraction experiments, molecular modelling, and a NMR titration. Podand 10, 1-benzyl-4-hydroxy-3,5-bis(2, 5, 8, 11-tetraoxadodecan-l-yl)-1H-pyrazole, showed an interesting selective complexation of dopamine. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00047-2