4-methoxy-6-(pyrrolidin-1-yl)-1,3,5-triazine-2-carbonitrile | 633288-39-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 4-methoxy-6-(pyrrolidin-1-yl)-1,3,5-triazine-2-carbonitrile
• 英文别名: 4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile
• CAS: 633288-39-8
• 化学式: C₉H₁₁N₅O
• mdl: MFCD03821561
• 分子量: 205.219
• InChiKey: DPZWKXVRBXCHMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  74.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-methoxy-6-(pyrrolidin-1-yl)-1,3,5-triazine-2-carbonitrile 在 盐酸羟胺 、 碳酸氢钠 作用下， 以 乙醇 、 水 为溶剂， 反应 2.0h， 以85%的产率得到N'-hydroxy-4-methoxy-6-(pyrrolidin-1-yl)-1,3,5-triazine-2-carboximidamide
  参考文献：
  名称：

  Synthesis and structures of 4,6-disubstituted 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3,5-triazines

  摘要：

  研究人员从氨肟中合成了新的 1,2,4-噁二唑基-1,3,5-三嗪。通过 X 射线衍射对其中一种化合物的结构进行了详细研究。

  DOI：

  10.1007/s11172-006-0056-y
• 作为产物：
  描述：

  N-hydroxy[4-methoxy-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]nitromethanimine 在 三苯基膦 作用下， 以 甲苯 为溶剂， 以86%的产率得到4-methoxy-6-(pyrrolidin-1-yl)-1,3,5-triazine-2-carbonitrile
  参考文献：
  名称：

  Reactions of trinitromethyl-1,3,5-triazines with triphenylphosphine in the presence of hydrogen donors and a dipolarophile

  摘要：

  2-Dialkylamino-4-methoxy-6-trinitromethyl-1,3,5-triazines reacted with triphenylphosphine in toluene in the presence of primary aliphatic alcohols as proton donors to give the corresponding 6-[hydroxyimino (nitro)methyl)-1,3,5-triazines. Analogous reactions in the presence of prop-2-yn-1-ol at elevated temperature resulted in the formation of [3 + 2]-dipolar cycloaddition products, 3-(1,3,5-triazinyl)-5-hydroxymethylisoxazoles.

  DOI：

  10.1134/s1070428009030166

文献信息

• Transformation of trinitromethyl group into cyano: A new synthesis of 1,3,5-triazinecarbonitriles
  作者：V. V. Bakharev、A. A. Gidaspov、E. V. Peresedova

  DOI：10.1134/s1070428008030226

  日期：2008.3

  1,3,5-Triazine-2-carbonitriles were synthesized by reactions of 2-trinitromethyl-1,3,5-triazines with triphenylphosphine.

  通过 2-三硝基甲基-1,3,5-三嗪与三苯基膦的反应合成了 1,3,5-三嗪-2-甲腈。
• Reactions of trinitromethyl-1,3,5-triazines with triphenylphosphine in the presence of hydrogen donors and a dipolarophile
  作者：V. V. Bakharev、A. A. Gidaspov、E. V. Peresedova、V. E. Parfenov

  DOI：10.1134/s1070428009030166

  日期：2009.3

  2-Dialkylamino-4-methoxy-6-trinitromethyl-1,3,5-triazines reacted with triphenylphosphine in toluene in the presence of primary aliphatic alcohols as proton donors to give the corresponding 6-[hydroxyimino (nitro)methyl)-1,3,5-triazines. Analogous reactions in the presence of prop-2-yn-1-ol at elevated temperature resulted in the formation of [3 + 2]-dipolar cycloaddition products, 3-(1,3,5-triazinyl)-5-hydroxymethylisoxazoles.
• Synthesis and structures of 4,6-disubstituted 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3,5-triazines
  作者：A. A. Chesnyuk、S. N. Mikhaylichenko、L. D. Konyushkin、S. I. Firgang、V. N. Zaplishnyi

  DOI：10.1007/s11172-006-0056-y

  日期：2005.8

  New 1,2,4-oxadiazolyl-1,3,5-triazines were synthesized from amidoximes derived from sym-triazine mononitriles. The structure of one of the resulting compounds was studied in detail by X-ray diffraction.

  研究人员从氨肟中合成了新的 1,2,4-噁二唑基-1,3,5-三嗪。通过 X 射线衍射对其中一种化合物的结构进行了详细研究。