2-methyl-3-nitro-4H-pyrido[1,2-a]pyrimidine-4-one | 152734-40-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: 2-methyl-3-nitro-4H-pyrido[1,2-a]pyrimidine-4-one
• 英文别名: 2-methyl-3-nitro-pyrido[1,2-a]pyrimidin-4-one；2-Methyl-3-nitro-pyrido[1,2-a]pyrimidin-4-on；Cambridge id 5957543；2-methyl-3-nitropyrido[1,2-a]pyrimidin-4-one
• CAS: 152734-40-2
• 化学式: C₉H₇N₃O₃
• 分子量: 205.173
• InChiKey: VGPZYFBFHWKACG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  78.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-methyl-3-nitro-4H-pyrido[1,2-a]pyrimidine-4-one 、 copper dichloride 在 HCl 作用下， 以 乙醇 为溶剂， 生成 [CuCl4][2-methyl-3-nitro-4H-pyrido[1,2-a]pyrimidine-9-one(+H)]2
  参考文献：
  名称：

  Synthesis, structure, geometrical, and spectral characteristics of the (HL n )2[CuCl4] complexes. Crystal and molecular structure of bis(2-methylimidazolium) tetrachlorocuprate(II)

  摘要：

  The (HLn)(2)[CuCl4] complexes (where L-n are organic nitrogen-containing bases with n = 1-6) were synthesized. The crystal and molecular structures of bis(2-methylimidazolium) tetrachlorocuprate(II), (HL1)(2)[CuCl4], were determined. The spectral characteristics of the complexes were measured. The correlations between the degree of distortion of the crystal structure of the tetrachlorocuprate anion and the hydrogen bond parameters and the spectral characteristics of compounds were obtained.

  DOI：

  10.1134/s1070328408110079
• 作为产物：
  描述：

  2-甲基-4H-吡啶并[1,2-a]嘧啶-4-酮 在 硫酸 、 硝酸 作用下， 生成 2-methyl-3-nitro-4H-pyrido[1,2-a]pyrimidine-4-one
  参考文献：
  名称：

  Chitrik, Zhurnal Obshchei Khimii, 1939, vol. 9, p. 1109,1115

  摘要：

  DOI：

文献信息

• Chitrik, Zhurnal Obshchei Khimii, 1939, vol. 9, p. 1109,1115
  作者：Chitrik

  DOI：——

  日期：——
• Satti, N. K.; Suri, K. A.; Suri, O. P., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1993, vol. 32, # 9, p. 978 - 980
  作者：Satti, N. K.、Suri, K. A.、Suri, O. P.、Kapil, A.

  DOI：——

  日期：——
• Synthesis, structure, geometrical, and spectral characteristics of the (HL n )2[CuCl4] complexes. Crystal and molecular structure of bis(2-methylimidazolium) tetrachlorocuprate(II)
  作者：O. V. Kovalchukova、K. K. Palkina、S. B. Strashnova、B. E. Zaitsev

  DOI：10.1134/s1070328408110079

  日期：2008.11

  The (HLn)(2)[CuCl4] complexes (where L-n are organic nitrogen-containing bases with n = 1-6) were synthesized. The crystal and molecular structures of bis(2-methylimidazolium) tetrachlorocuprate(II), (HL1)(2)[CuCl4], were determined. The spectral characteristics of the complexes were measured. The correlations between the degree of distortion of the crystal structure of the tetrachlorocuprate anion and the hydrogen bond parameters and the spectral characteristics of compounds were obtained.