5-hydrazinomethylene-1,3-dimethylpyrimidine-2,4,6-trione | 98335-37-6

• 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: 5-hydrazinomethylene-1,3-dimethylpyrimidine-2,4,6-trione
• 英文别名: 1,3-Dimethyl-5-hydrazinomethylen-barbitursaeure；1,3-dimethyl-2,4,6-trioxo-hexahydro-pyrimidine-5-carbaldehyde hydrazone；5-(hydrazinylmethylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
• CAS: 98335-37-6
• 化学式: C₇H₁₀N₄O₃
• 分子量: 198.181
• InChiKey: QCMUVDWCZRNPFI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.62
• 重原子数：
  14.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  95.74
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  6-hydroxy-1,3-dimethyl-5-(1-ethyl-2-oxo-1,2-dihydroindol-3-ylidenemethyl)-1H-pyrimidine-2,4-dione 在 一水合肼 作用下， 以 氯仿 为溶剂， 反应 24.0h， 以13%的产率得到5-hydrazinomethylene-1,3-dimethylpyrimidine-2,4,6-trione
  参考文献：
  名称：

  Reaction of 2-Chloro-1-alkyl-1H-Indol-3-carbaldehydes with Barbituric Acids and 5-Methyl-2-phenyl-2,4-dihydropyrazol-3-one. Formation of Compound with Extremely Short Intramolecular Hydrogen Bond in Eight-Membered Pseudocycle

  摘要：

  New indolin-2-one derivatives, containing in its molecules eight-membered pseudo-cycle with unusually short intramolecular hydrogen bond in OHO-bridge have been synthesized by reaction of 2-chloro-1-alkyl-1H-indole-3-carbaldehyde with barbituric acids or 5-methyl-2-phenyl-2,4-dihydropyrazol-3-one. Under the action of amines they undergo fragmentation to 5-aminomethylenebarbituric acids or 4-aminomethylenepyrazolones and 1-alkyl-1,3-dihydroindo1-2-ones.

  DOI：

  10.3987/com-14-13135