3-Chloromethyl-5,1',5'-trimethyl-1'H-[1,3']bipyrazolyl | 850930-95-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 亚胺内酰胺
• 英文名称: 3-Chloromethyl-5,1',5'-trimethyl-1'H-[1,3']bipyrazolyl
• 英文别名: 3-(Chloromethyl)-1-(1,5-dimethylpyrazol-3-yl)-5-methylpyrazole
• CAS: 850930-95-9
• 化学式: C₁₀H₁₃ClN₄
• 分子量: 224.693
• InChiKey: ACWTZEMLLIBHQM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  35.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-Chloromethyl-5,1',5'-trimethyl-1'H-[1,3']bipyrazolyl 在 sodium carbonate 作用下， 以 乙腈 为溶剂， 反应 18.0h， 生成 3-[[1-(1,5-Dimethyl-1H-pyrazol-3-ylmethyl)-5-methyl-1H-pyrazol-3-ylmethyl]-(5,1',5'-trimethyl-1'H-[1,3']bipyrazolyl-3-ylmethyl)-amino]-propan-1-ol
  参考文献：
  名称：

  Tetrapyrazolic tripods. Synthesis and preliminary use in metal ion extraction

  摘要：

  The synthesis of two new tetrapyrazolic tripods with a side-arm bearing a functionalized donor-group is reported. The complexing properties of these compounds towards heavy metal ions (Hg2+, Cd2+, Pb2+) and alkaline metal ions (K+, Na+, Li+) was studied by a liquid-liquid extraction process and the extracted cation percentage was determined by atomic absorption measurements. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.01.122
• 作为产物：
  描述：

  (5,1',5'-Trimethyl-1'H-[1,3']bipyrazolyl-3-yl)-methanol 在 氯化亚砜 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 以85%的产率得到3-Chloromethyl-5,1',5'-trimethyl-1'H-[1,3']bipyrazolyl
  参考文献：
  名称：

  Tetrapyrazolic tripods. Synthesis and preliminary use in metal ion extraction

  摘要：

  The synthesis of two new tetrapyrazolic tripods with a side-arm bearing a functionalized donor-group is reported. The complexing properties of these compounds towards heavy metal ions (Hg2+, Cd2+, Pb2+) and alkaline metal ions (K+, Na+, Li+) was studied by a liquid-liquid extraction process and the extracted cation percentage was determined by atomic absorption measurements. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.01.122