5-trichloromethyl-3-ethyl-5-hydroxy-4,5-dihydro-1H-pyrazole-1-carboxamide | 1086898-92-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 5-trichloromethyl-3-ethyl-5-hydroxy-4,5-dihydro-1H-pyrazole-1-carboxamide
• CAS: 1086898-92-1
• 化学式: C₇H₁₀Cl₃N₃O₂
• 分子量: 274.534
• InChiKey: OLGGSUHGCQMLKT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  15.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  78.92
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  盐酸氨基脲 、 (E)-1,1,1-Trichloro-4-methoxy-hex-3-en-2-one 在 吡啶 作用下， 以 甲醇 、 水 为溶剂， 70.0 ℃ 、220.0 kPa 条件下， 反应 0.07h， 以75%的产率得到5-trichloromethyl-3-ethyl-5-hydroxy-4,5-dihydro-1H-pyrazole-1-carboxamide
  参考文献：
  名称：

  Simplified Approach to the Regiospecific Synthesis of Trichloromethylpyrazolines Using Microwave Irradiation

  摘要：

  Twelve novel 3-alkyl[aryl]-1-carboxamides-5-trichloromethyl-5-hydroxy-4,5- dihydro-lH-pyrazole have been synthesized in good yields (72-90%) using environmentally benign microwave-induced techniques. The compounds were synthesized from the cyclocondensation of 4-alkoxy-1,1,1-trichloro-3- alkyl[aryl]-2-ones [Cl3CC(O)C(R-2)=C(R-1)OR, where R=Me, Et; R-1=H, Me, Et, Pr, i-Pr, i-Bu, t-Bu, Ph, Ph-4-NO2, Ph-4-F, Ph-4-Cl, Ph-4-Br; and R-2=H, Me] with semicarbazide hydrochloride in the presence of pyridine and using methanol/water (3:1 v/v) as the solvent. The advantages of using microwave irradiation, rather than a conventional method, were demonstrated.

  DOI：

  10.1080/00397910802162926