5,6-Dimethyl-2,7-diphenyl-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one | 96823-20-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 5,6-Dimethyl-2,7-diphenyl-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one
• 英文别名: 5,6-dimethyl-2,7-diphenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
• CAS: 96823-20-0
• 化学式: C₂₀H₁₇N₃O
• 分子量: 315.374
• InChiKey: MTONYLSCLRTBGH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  46.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N-(3-Cyano-4,5-dimethyl-1-phenyl-1H-pyrrol-2-yl)-benzamide 在 磷酸酐 、 N,N-二甲基环己胺 、 水 作用下， 反应 3.0h， 以57%的产率得到5,6-Dimethyl-2,7-diphenyl-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one
  参考文献：
  名称：

  Phosphorus Pentoxide in Organic Synthesis; XI¹. A New Synthetic Approach to 7-Deazahypoxanthines

  摘要：

  DOI：

  10.1055/s-1985-31126

文献信息

• Synthesis of Fused Pyrimidinones by Reaction of Aminoarenecarboxamide with Esters; Preparation of Pyrrolo[2,3-d]-, Thieno[2,3-d]-, Isoxazolo[5,4-d]-, and 1,2,3-Triazolo[4,5-d]-pyrimidinones, and Quinazoles
  作者：Akira Miyashita、Katsuhiro Fujimoto、Tomomi Okada、Takeo Higashino

  DOI：10.3987/com-95-s75

  日期：——

  Several fused pyrimidinones were synthesized by reaction of aminoarenecarboxamide with esters in moderate to good yields. In the presence of sodium ethoxide, treatments of 2-amino-1-phenyl-3-pyrrolecarboxamide(4, 5, and 6), 2-amino-3-thiophene-carboxamide (14), 3-amino-4-isoxazolecarboxamide (10 and 11), 4-amino-1,2,3-triazole-5-carboxamide (16), and o-aminobenzamide (18) with esters (3) such as ethyl formate (3a) and ethyl acetate (3b) led to the corresponding pyrrolo[2,3-d]- (7, 8, and 9), and thieno[2,3-d]pyrimidin-4(3H)-ones (15), isoxazolo[5,4-d]pyrimidin-4(5H)-ones (12 and 13), 1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-ones (17), and 4(3H)-quinazolones (19), respectively.
• GIRGIS, NAVIN, S.;JZHUSTORGENSEN, A.;REDERSEN, E. V., SYNTHESIS, BRD, 1985, N 1, 101-104
  作者：GIRGIS, NAVIN, S.、JZHUSTORGENSEN, A.、REDERSEN, E. V.

  DOI：——

  日期：——