2-amino-9-methyl-5H-chromeno[4,3-d]pyrimidin-5-one | 91546-79-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 2-amino-9-methyl-5H-chromeno[4,3-d]pyrimidin-5-one
• 英文别名: 2-amino-9-methylchromeno[4,3-d]pyrimidin-5-one
• CAS: 91546-79-1
• 化学式: C₁₂H₉N₃O₂
• 分子量: 227.222
• InChiKey: RWQNUSUSRPVEFO-UHFFFAOYSA-N

物化性质

• 熔点：
  267 °C (decomp)
• 沸点：
  520.1±53.0 °C(Predicted)
• 密度：
  1.432±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  78.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-羟基-3-甲酰基-6-甲基香豆素 在 磷酸酐 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 11.5h， 生成 2-amino-9-methyl-5H-chromeno[4,3-d]pyrimidin-5-one
  参考文献：
  名称：

  Mulwad; Shirodkar, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2002, vol. 41, # 6, p. 1263 - 1267

  摘要：

  DOI：

文献信息

• Ghosh, Chandra Kanta; Tewari, Nimai; Bandyopadhyay, Chandrakanta, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1983, vol. 22, # 12, p. 1200 - 1204
  作者：Ghosh, Chandra Kanta、Tewari, Nimai、Bandyopadhyay, Chandrakanta

  DOI：——

  日期：——
• Reactivity of 6-Methylchromone-3-carbonitrile Towards Some Nitrogen Nucleophilic Reagents
  作者：Magdy A. Ibrahim、Nasser M. El-Gohary、Sara Said

  DOI：10.3987/com-18-13874

  日期：——

  The chemical reactivity of 6-methylchromone-3-carbonitrile (1) was studied towards a variety of nitrogen nucleophiles. A variety of products was obtained from the reaction of carbonitrile 1 with hydrazine hydrate, S-benzyl dithiocarbazate, isonicotinic acid hydrazide and cyanoacetohydrazide. A diversity of Schiff bases bearing 2-amino-6-methylchromone linked variable heterocyclic systems was efficiently synthesized. Reaction of carbonitrile 1 with guanidine and cyanoguanidine resulted in ring conversion producing chromeno[4,3-d]pyrimidines. Reaction of carbonitrile 1 was also studied towards some 1,4-binucleophiles.
• GHOSH, CHANDRA, KANTA;TEWARI, NIMAI;BANDYOPADHYAY, CHANDRAKANTA, INDIAN J. CHEM., 1983, 22, N 12, 1200-1204
  作者：GHOSH, CHANDRA, KANTA、TEWARI, NIMAI、BANDYOPADHYAY, CHANDRAKANTA

  DOI：——

  日期：——
• Mulwad; Shirodkar, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2002, vol. 41, # 6, p. 1263 - 1267
  作者：Mulwad、Shirodkar

  DOI：——

  日期：——