2-(6-methoxy-4-methylquinolin-2-yl)-5-methyl-1H-pyrazol-3-one | 111784-25-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-(6-methoxy-4-methylquinolin-2-yl)-5-methyl-1H-pyrazol-3-one
• 英文别名: 1-(6'-methoxy-4'-methyl-2'-quinolyl)-3-methylpyrazol-5-ol
• CAS: 111784-25-9
• 化学式: C₁₅H₁₅N₃O₂
• 分子量: 269.303
• InChiKey: KOBFNXCBOZNYCR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.75
• 重原子数：
  20.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  60.17
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  2-hydrazino-4-methyl-6-methoxyquinoline 、 2-(4'-Acetoacetyl-3'-methyl-5'-oxo-2'-pyrazolin-1'-yl)-4-methyl-6-methoxyquinoline 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 以80%的产率得到2-(6-methoxy-4-methylquinolin-2-yl)-5-methyl-1H-pyrazol-3-one
  参考文献：
  名称：

  Singh, S. P.; Prakash, O. M.; Vaid, R. K., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1984, vol. 23, # 3, p. 191 - 192

  摘要：

  DOI：

文献信息

• Mass spectra of some 1-(6′-substituted-4′-methyl-2′-quinolyl)-3-methylpyrazol-5-ols and their 4-substituted analogues
  作者：Shiv P. Singh、Radhe K. Vaid、Om Prakash

  DOI：10.1002/oms.1210220407

  日期：1987.4

  AbstractElectron impact induced fragmentation of some 1‐(6′‐substituted‐4′‐metbyI‐2′‐quinolyI)‐3‐methylpyrazoI‐5‐ols follows a route where the pyrazole moiety is preferentially cleaved with successive losses of two moieties of 41 u. High‐resolution measurements have established that the first loss is due to the Ċ2HO moiety, which necessitates an intramolecular hydrogen transfer followed by ring fission. The resultant ion loses CH3CN in a subsequent step. The origin of many fragment ions was traced with the use of B/E linked‐scan spectra.
• VAID RADHE K.; SINGH SHIV P., PROC. INDIAN ACAD. SCI. CHEM. SCI., 97,(1986) N 2, 185-189
  作者：VAID RADHE K.、 SINGH SHIV P.

  DOI：——

  日期：——
• Singh, S. P.; Prakash, O. M.; Vaid, R. K., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1984, vol. 23, # 3, p. 191 - 192
  作者：Singh, S. P.、Prakash, O. M.、Vaid, R. K.

  DOI：——

  日期：——