3-(Chloromethyl)-1-[[1-[3-[3-[[3-(chloromethyl)-5-methylpyrazol-1-yl]methyl]-5-methylpyrazol-1-yl]propyl]-5-methylpyrazol-3-yl]methyl]-5-methylpyrazole | 671246-86-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(Chloromethyl)-1-[[1-[3-[3-[[3-(chloromethyl)-5-methylpyrazol-1-yl]methyl]-5-methylpyrazol-1-yl]propyl]-5-methylpyrazol-3-yl]methyl]-5-methylpyrazole
• CAS: 671246-86-9
• 化学式: C₂₃H₃₀Cl₂N₈
• 分子量: 489.451
• InChiKey: LEUSEEPICCRHRK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  33
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  71.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-氨基-1-丙醇 、 3-(Chloromethyl)-1-[[1-[3-[3-[[3-(chloromethyl)-5-methylpyrazol-1-yl]methyl]-5-methylpyrazol-1-yl]propyl]-5-methylpyrazol-3-yl]methyl]-5-methylpyrazole 在 sodium carbonate 作用下， 以 乙腈 为溶剂， 反应 24.0h， 以60%的产率得到3-(5,11,16,24-Tetramethyl-1,6,10,15,20,25,26,27,28-nonazapentacyclo[20.2.1.13,6.110,13.115,18]octacosa-3(28),4,11,13(27),16,18(26),22(25),23-octaen-20-yl)propan-1-ol
  参考文献：
  名称：

  New tetrapyrazolic macrocycle. Synthesis and preliminary use in metal ion extraction

  摘要：

  A new macrocycle containing two bipyrazolic units, with a side-arm bearing an attached donor-group is reported. The complexing properties of this compound towards heavy metal ions (Hg2+, Cd2+, Ph2+) and alkaline metal ions (Ca2+, Cs+, K+, Na+, Li+) was studied by a liquid-liquid extraction process and the extracted cation percentage was determined by atomic absorption measurements and UV spectroscopy. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2003.11.029
• 作为产物：
  描述：

  [1-(1-{3-[3-(3-Hydroxymethyl-5-methyl-pyrazol-1-ylmethyl)-5-methyl-pyrazol-1-yl]-propyl}-5-methyl-1H-pyrazol-3-ylmethyl)-5-methyl-1H-pyrazol-3-yl]-methanol 在 氯化亚砜 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 以80%的产率得到3-(Chloromethyl)-1-[[1-[3-[3-[[3-(chloromethyl)-5-methylpyrazol-1-yl]methyl]-5-methylpyrazol-1-yl]propyl]-5-methylpyrazol-3-yl]methyl]-5-methylpyrazole
  参考文献：
  名称：

  New tetrapyrazolic macrocycle. Synthesis and preliminary use in metal ion extraction

  摘要：

  A new macrocycle containing two bipyrazolic units, with a side-arm bearing an attached donor-group is reported. The complexing properties of this compound towards heavy metal ions (Hg2+, Cd2+, Ph2+) and alkaline metal ions (Ca2+, Cs+, K+, Na+, Li+) was studied by a liquid-liquid extraction process and the extracted cation percentage was determined by atomic absorption measurements and UV spectroscopy. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2003.11.029