3-(methoxymethyl)-1-(4-methoxyphenyl)-1H-pyrazol-5(4H)-one | 1211450-31-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-(methoxymethyl)-1-(4-methoxyphenyl)-1H-pyrazol-5(4H)-one
• 英文别名: 5-(Methoxymethyl)-2-(4-methoxyphenyl)-2,4-dihydro-3h-pyrazol-3-one；5-(methoxymethyl)-2-(4-methoxyphenyl)-4H-pyrazol-3-one
• CAS: 1211450-31-5
• 化学式: C₁₂H₁₄N₂O₃
• mdl: MFCD15203931
• 分子量: 234.255
• InChiKey: CCJVDXISIVYECQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  51.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  甲醇 、 4-氯乙酰乙酸乙酯 、 4-甲氧基苯肼盐酸盐 在 bismuth(lll) trifluoromethanesulfonate 作用下， 反应 16.0h， 以50%的产率得到3-(methoxymethyl)-1-(4-methoxyphenyl)-1H-pyrazol-5(4H)-one
  参考文献：
  名称：

  Condensation of Ortho-phenylenediamines and Phenylhydrazines with Ethyl 4-Chloro-3-oxobutanoate: A Facile Approach for the Synthesis of Substituted 1H-Benzimidazoles, Pyrazolones, and Pyrazoles

  摘要：

  Substituted 1H-benzimidazoles, pyrazolones, and pyrazoles have been synthesized by the condensation of ortho-phenylenediamines and phenylhydrazines, respectively, with ethyl 4-chloro-3-oxobutanoate in good yields. The present approach is novel, straightforward, and being reported for the first time with ethyl 4-chloro-3-oxobutanoate.

  DOI：

  10.1080/00397911.2015.1036884

文献信息

• Condensation of <i>Ortho</i>-phenylenediamines and Phenylhydrazines with Ethyl 4-Chloro-3-oxobutanoate: A Facile Approach for the Synthesis of Substituted 1<i>H</i>-Benzimidazoles, Pyrazolones, and Pyrazoles
  作者：Cherupally Dayakar、Dondra Jyothi、Pathi Suman、Bhimapaka China Raju

  DOI：10.1080/00397911.2015.1036884

  日期：2015.7.18

  Substituted 1H-benzimidazoles, pyrazolones, and pyrazoles have been synthesized by the condensation of ortho-phenylenediamines and phenylhydrazines, respectively, with ethyl 4-chloro-3-oxobutanoate in good yields. The present approach is novel, straightforward, and being reported for the first time with ethyl 4-chloro-3-oxobutanoate.