(2-methyl-4-methylenepyrazolidin-1-yl)(pyrazin-2-yl)methanone | 1312713-74-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: (2-methyl-4-methylenepyrazolidin-1-yl)(pyrazin-2-yl)methanone
• 英文别名: (2-Methyl-4-methylidenepyrazolidin-1-yl)-pyrazin-2-ylmethanone
• CAS: 1312713-74-8
• 化学式: C₁₀H₁₂N₄O
• 分子量: 204.231
• InChiKey: IGKGCVCACZRHEK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  49.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (2-methyl-4-methylenepyrazolidin-1-yl)(pyrazin-2-yl)methanone 、 2-fluoro-N-hydroxybenzenecarboxymidoyl chloride 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以55%的产率得到(3-(2-fluorophenyl)-8-methyl-1-oxa-2,7,8-triazaspiro[4.4]non-2-en-7-yl)(pyrazin-2-yl)methanone
  参考文献：
  名称：

  Synthesis of Spiro-Fused Pyrazolidoylisoxazolines

  摘要：

  Routes to structurally unique spiro-fused pyrazolidoylisoxazolines are reported. These methods start with monosubstituted hydrazines or hydrazides and utilize the nitrile oxide 1,3-dipolar cycloaddition reaction to generate the targeted spiro-fused bis-heterocycles. Molecular shape space diversity analyses were performed on these pyrazolidoylisoxazolines showing that manipulation of the appended R groups significantly changes the molecular shape.

  DOI：

  10.1021/jo200924y
• 作为产物：
  描述：

  N'-甲基-2-吡嗪甲酰肼 、 3-氯-2-氯甲基丙烯 在 sodium hydride 作用下， 以 四氢呋喃 、 mineral oil 为溶剂， 以5%的产率得到(2-methyl-4-methylenepyrazolidin-1-yl)(pyrazin-2-yl)methanone
  参考文献：
  名称：

  Synthesis of Spiro-Fused Pyrazolidoylisoxazolines

  摘要：

  Routes to structurally unique spiro-fused pyrazolidoylisoxazolines are reported. These methods start with monosubstituted hydrazines or hydrazides and utilize the nitrile oxide 1,3-dipolar cycloaddition reaction to generate the targeted spiro-fused bis-heterocycles. Molecular shape space diversity analyses were performed on these pyrazolidoylisoxazolines showing that manipulation of the appended R groups significantly changes the molecular shape.

  DOI：

  10.1021/jo200924y

文献信息

• Synthesis of Spiro-Fused Pyrazolidoylisoxazolines
  作者：Kathryn G. Guggenheim、Jeffrey D. Butler、Phillip P. Painter、Beth A. Lorsbach、Dean J. Tantillo、Mark J. Kurth

  DOI：10.1021/jo200924y

  日期：2011.7.15

  Routes to structurally unique spiro-fused pyrazolidoylisoxazolines are reported. These methods start with monosubstituted hydrazines or hydrazides and utilize the nitrile oxide 1,3-dipolar cycloaddition reaction to generate the targeted spiro-fused bis-heterocycles. Molecular shape space diversity analyses were performed on these pyrazolidoylisoxazolines showing that manipulation of the appended R groups significantly changes the molecular shape.