2,2-dimethyl-1-oxa-5,6-diazaspiro[2,4]heptane-4,7-dione | 1247022-94-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 2,2-dimethyl-1-oxa-5,6-diazaspiro[2,4]heptane-4,7-dione
• 英文别名: 2,2-dimethyl-1-oxa-5,6-diazaspiro[2.4]heptane-4,7-dione
• CAS: 1247022-94-1
• 化学式: C₆H₈N₂O₃
• 分子量: 156.141
• InChiKey: AEUORYUQORCVHX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  70.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-isopropylidene-3,5-pyrazolidinedione 在 双氧水 作用下， 以 乙醚 为溶剂， 以54%的产率得到2,2-dimethyl-1-oxa-5,6-diazaspiro[2,4]heptane-4,7-dione
  参考文献：
  名称：

  Synthesis and crystal structure of some 3,5-pyrazolidinediones

  摘要：

  Syntheses of various derivatives of 3,5-pyrazolidenedione are reported. This includes 4-arylidene (alkylidene or aralkylidene)-3,5-pyrazolidinediones, which on epoxidation gave unreported oxiranes. The syntheses of these derivatives were based on either the Knoevenagel reaction of carbonyl derivatives with 3,4-pyrazolidinedione or cyclization of arylidene (alkylidene) malonic acid hydrazide with glacial acetic acid. 4-Arylazo-3,5-pyrazolidinedione derivatives were also prepared by coupling of aryldiazonium salts with 3,5-pyrazolidinedione or cyclization of arylazomalonic acid hydrazide. Reduction of 4-benzylidene derivatives gave the corresponding benzyl derivatives. The structure of the new products was confirmed by elemental and spectral analyses and X-ray crystallography.

  DOI：

  10.1007/s10593-010-0527-9