methyl N-{4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}carbamate | 1515895-97-2

• 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: methyl N-{4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}carbamate
• CAS: 1515895-97-2
• 化学式: C₁₈H₁₉N₃O₃
• 分子量: 325.367
• InChiKey: XUZQUEQSWHQBNG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.31
• 重原子数：
  24.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  71.95
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  methyl N-(4-acetylphenyl)carbamate 在 一水合肼 、 potassium hydroxide 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 29.0h， 生成 methyl N-{4-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}carbamate
  参考文献：
  名称：

  Synthesis and application of chalcones to the preparation of heterocyclic structures

  摘要：

  Condensation of methyl N-(4-acetylphenyl)carbamate with aromatic aldehydes in basic and acid environment, and also with hetarylaldehydes in the presence of bases afforded chalcones with the carbamate function. Under the conditions of basic catalysis a nucleophilic substitution was observed of a methoxy group in the carbamate moiety of the chalcone for an ethoxy group. The reactions of the obtained chalcones with hydrazine hydrate, isonicotinic acid hydrazide, guanidine and hydroxylamine hydrochlorides, thiourea, and selenium dioxide furnished the corresponding derivatives of pyrazole, oxazole, pyrimidine, and selenadiazole.

  DOI：

  10.1134/s1070428013110080

文献信息

• Synthesis and application of chalcones to the preparation of heterocyclic structures
  作者：A. V. Velikorodov、V. A. Ionova、S. I. Temirbulatova、O. L. Titova、N. N. Stepkina

  DOI：10.1134/s1070428013110080

  日期：2013.11

  Condensation of methyl N-(4-acetylphenyl)carbamate with aromatic aldehydes in basic and acid environment, and also with hetarylaldehydes in the presence of bases afforded chalcones with the carbamate function. Under the conditions of basic catalysis a nucleophilic substitution was observed of a methoxy group in the carbamate moiety of the chalcone for an ethoxy group. The reactions of the obtained chalcones with hydrazine hydrate, isonicotinic acid hydrazide, guanidine and hydroxylamine hydrochlorides, thiourea, and selenium dioxide furnished the corresponding derivatives of pyrazole, oxazole, pyrimidine, and selenadiazole.