methyl 1-[1-(4-methoxyphenyl)pyrazol-3-yl]azulene-3-carboxylate | 957946-89-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: methyl 1-[1-(4-methoxyphenyl)pyrazol-3-yl]azulene-3-carboxylate
• 英文别名: Methyl 3-[1-(4-methoxyphenyl)pyrazol-3-yl]azulene-1-carboxylate；methyl 3-[1-(4-methoxyphenyl)pyrazol-3-yl]azulene-1-carboxylate
• CAS: 957946-89-3
• 化学式: C₂₂H₁₈N₂O₃
• 分子量: 358.397
• InChiKey: XCWAPGQYIQMPQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  53.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  methyl 1-(3-dimethylamino-2-propenoyl)azulene-3-carboxylate 、 (4-甲氧基苯基)肼 以 乙醇 为溶剂， 以72%的产率得到methyl 1-[1-(4-methoxyphenyl)pyrazol-3-yl]azulene-3-carboxylate
  参考文献：
  名称：

  Synthesis of 1-(3-isoxazolyl)- and 1-(3-pyrazolyl)azulene derivatives via methyl 1-(3-dimethylamino-2-propenoyl)azulene-3-carboxylate

  摘要：

  Methyl 1-acetylazulene-3-carboxylate (1) reacted with N,N-dimethylformamide dimethylacetal (DMFDMA) to give enaminone (2), which reacted with hydroxylamine and hydrazines to yield methyl 1-(3-isoxazolyl)azulene-3-carboxylate (3) and methyl 1-(3-pyrazoiyl)azulene-3-carboxylates (5a-f), respectively. Compound (1) was also gave the products (3 and 5b) via oxime (4) and phenylhydrazone (6).

  DOI：

  10.1016/s0385-5414(07)81099-9

文献信息

• Synthesis of 1-(3-isoxazolyl)- and 1-(3-pyrazolyl)azulene derivatives via methyl 1-(3-dimethylamino-2-propenoyl)azulene-3-carboxylate
  作者：D WANG、J DENG、J XU、K IMAFUKU

  DOI：10.1016/s0385-5414(07)81099-9

  日期：2007.10.1

  Methyl 1-acetylazulene-3-carboxylate (1) reacted with N,N-dimethylformamide dimethylacetal (DMFDMA) to give enaminone (2), which reacted with hydroxylamine and hydrazines to yield methyl 1-(3-isoxazolyl)azulene-3-carboxylate (3) and methyl 1-(3-pyrazoiyl)azulene-3-carboxylates (5a-f), respectively. Compound (1) was also gave the products (3 and 5b) via oxime (4) and phenylhydrazone (6).