3-(3,5-dimethylpyrazol-1-yl)-6-pyrrolidinotetrazine

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3-(3,5-dimethylpyrazol-1-yl)-6-pyrrolidinotetrazine
• 英文别名: 3-(3,5-Dimethyl-1H-pyrazol-1-yl)-36(N-pyrrolidinyl)-1,2,4,5-tetrazine；3-(3,5-dimethylpyrazol-1-yl)-6-pyrrolidin-1-yl-1,2,4,5-tetrazine
• 化学式: C₁₁H₁₅N₇
• 分子量: 245.287
• InChiKey: FIZLANCPEACMOJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  72.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-(3,5-dimethylpyrazol-1-yl)-6-pyrrolidinotetrazine 在 potassium tert-butylate 作用下， 以 异丙醇 为溶剂， 反应 0.75h， 以68%的产率得到
  参考文献：
  名称：

  Replacement of dimethylpyrazolyl group in 1,2,4,5-tetrazines by aliphatic alcohols and water

  摘要：

  Reactions of 3,6-bis(4-R-3,5-dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetrazines and 3-amino-6-(3,5-dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetrazines with aliphatic alcohols and water in the presence of a base involved replacement of the dimethylpyrazolyl group and resulted in the formation of mono- and dialkoxy-1,2,4,5-tetrazines and 6-substituted 3-hydroxy-1,2,4,5-tetrazines. Dissociation constants of the latter were determined by potentiometric titration.

  DOI：

  10.1134/s1070428009070197
• 作为产物：
  描述：

  四氢吡咯 、 3,6-二(3,5-二甲基-1H-吡唑-1-基)-1,2,4,5-四嗪 以 甲苯 为溶剂， 以74%的产率得到3-(3,5-dimethylpyrazol-1-yl)-6-pyrrolidinotetrazine
  参考文献：
  名称：

  Selective Nucleophilic Substitutions on Tetrazines

  摘要：

  DOI：

  10.3987/com-03-9875

文献信息

• Latosh; Rusinov; Ganebnykh, Russian Journal of Organic Chemistry, 1999, vol. 35, # 9, p. 1363 - 1371
  作者：Latosh、Rusinov、Ganebnykh、Chupakhin

  DOI：——

  日期：——
• Replacement of dimethylpyrazolyl group in 1,2,4,5-tetrazines by aliphatic alcohols and water
  作者：R. I. Ishmetova、N. I. Latosh、I. N. Ganebnykh、N. K. Ignatenko、S. G. Tolshchina、G. L. Rusinov

  DOI：10.1134/s1070428009070197

  日期：2009.7

  Reactions of 3,6-bis(4-R-3,5-dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetrazines and 3-amino-6-(3,5-dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetrazines with aliphatic alcohols and water in the presence of a base involved replacement of the dimethylpyrazolyl group and resulted in the formation of mono- and dialkoxy-1,2,4,5-tetrazines and 6-substituted 3-hydroxy-1,2,4,5-tetrazines. Dissociation constants of the latter were determined by potentiometric titration.
• Selective Nucleophilic Substitutions on Tetrazines
  作者：András Kotschy、Zoltán Novák、Beatrix Bostai、Márton Csékei、Krisztián Lörincz

  DOI：10.3987/com-03-9875

  日期：——