6-(4-methylphenyl)-8-(4-methylphenylazo)-4-phenyl-3H,6H-pyrimido[4,5-d]pyridazine-2,5-dione | 1158956-14-9

• 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: 6-(4-methylphenyl)-8-(4-methylphenylazo)-4-phenyl-3H,6H-pyrimido[4,5-d]pyridazine-2,5-dione
• 英文别名: 6-(4-methylphenyl)-8-[(4-methylphenyl)diazenyl]-4-phenyl-1H-pyrimido[4,5-d]pyridazine-2,5-dione
• CAS: 1158956-14-9
• 化学式: C₂₆H₂₀N₆O₂
• 分子量: 448.484
• InChiKey: SRLKWXGBKMNDFB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  34
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  98.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  p-methylbenzenediazonium chloride 、 1,2-二氢-4-甲基-2-氧代-6-苯基-5-嘧啶羧酸乙酯 在 sodium acetate 作用下， 以 乙醇 、 水 为溶剂， 反应 16.5h， 以71%的产率得到6-(4-methylphenyl)-8-(4-methylphenylazo)-4-phenyl-3H,6H-pyrimido[4,5-d]pyridazine-2,5-dione
  参考文献：
  名称：

  A Convenient Route to New Pyrrolo[1,2-c]pyrimidone, Thiazolo[3,4-c]pyrimidone and Pyrimido[4,5-d]pyridazine Derivatives

  摘要：

  The utility of versatile, readily accessible ethyl 6-bromomethyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate (3) and ethyl 6-bromomethyl-2-oxo-4-phenyl-1,2-dihydropyrimidine-5-carboxylate (4) in the synthesis of some new pyrimidine, pyrimido[4,5-d]pyridazine, pyrrolo[1,2-c]pyrimidone and thiazolo[3,4-c]pyrimidone derivatives is reported.

  DOI：

  10.3987/com-08-11562

文献信息

• A Convenient Route to New Pyrrolo[1,2-c]pyrimidone, Thiazolo[3,4-c]pyrimidone and Pyrimido[4,5-d]pyridazine Derivatives
  作者：Ahmad M. Farag、Nabila A. Kheder、Yahia N. Mabkhot

  DOI：10.3987/com-08-11562

  日期：——

  The utility of versatile, readily accessible ethyl 6-bromomethyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate (3) and ethyl 6-bromomethyl-2-oxo-4-phenyl-1,2-dihydropyrimidine-5-carboxylate (4) in the synthesis of some new pyrimidine, pyrimido[4,5-d]pyridazine, pyrrolo[1,2-c]pyrimidone and thiazolo[3,4-c]pyrimidone derivatives is reported.