3-ethyl-5-methyl-1-phenyl-4,5-dihydro-1H-pyrazole | 24665-40-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-ethyl-5-methyl-1-phenyl-4,5-dihydro-1H-pyrazole
• 英文别名: 1-Phenyl-3-ethyl-5-methyl-pyrazolin-2；5-Ethyl-3-methyl-2-phenyl-3,4-dihydropyrazole
• CAS: 24665-40-5
• 化学式: C₁₂H₁₆N₂
• 分子量: 188.272
• InChiKey: COZGAIVBFCWAEM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  15.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  丙醛苯腙 在 偶氮二异丁腈 、 三正丁基氢锡 、 sodium carbonate 作用下， 以 四氢呋喃 、 甲苯 、 乙腈 为溶剂， 反应 24.0h， 生成 3-ethyl-5-methyl-1-phenyl-4,5-dihydro-1H-pyrazole
  参考文献：
  名称：

  Synthesis of pyrazolidine, 1-pyrazoline, 2-pyrazoline derivatives by selenium-induced cyclization of homoallylhydrazines

  摘要：

  The PhSeBr-induced cyclization of N'-but-3-en-1-yl ethoxycarbonylhydrazines 1, phenylhydrazines 2 and dimethylhydrazines 3 has been studied. A 5-exo-trig ring closure occurred in each case and phenylselanyimethyl-pyrazolidines 4, 2-pyrazolines 5 and 10, 1-pyrazolines 8 and pyrazolidinium bromides 11 were synthesized. Radical deselenenylation has allowed the preparation of 5-methylpyrazolidines 12 and 5-methyl-2-pyrazolines 13 and 14. Decomposition of the dibromoselenuranes derived from 2-pyrazolines 5 and 10 afforded bromomethyl derivatives. With 1-phenyl-2-pyrazolines 10, an electrophilic p-halogenation of the phenyl nucleus was observed. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)01064-x