1-benzoyl-3-methyl-2-pyrazoline | 80457-45-0

• 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: 1-benzoyl-3-methyl-2-pyrazoline
• 英文别名: (3-methyl-4,5-dihydropyrazol-1-yl)phenylmethanone；1-benzoyl-3-methyl-4,5-dihydro-1H-pyrazole；1-Benzoyl-3-methyl-4,5-dihydro-1H-pyrazol；(5-Methyl-3,4-dihydropyrazol-2-yl)-phenylmethanone
• CAS: 80457-45-0
• 化学式: C₁₁H₁₂N₂O
• 分子量: 188.229
• InChiKey: XXWUIFJMEGNKAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  32.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  benzoic acid N'-benzylidene-N-(3-oxobutyl)hydrazide 在 盐酸 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成 1-benzoyl-3-methyl-2-pyrazoline
  参考文献：
  名称：

  DABCO-catalyzed reactions of hydrazones with activated olefins

  摘要：

  This paper describes several highly efficient DABCO-catalyzed aza-Michael addition reactions of hydrazones to activated olefins. In most cases, these aza-Michael addition reactions gave the corresponding products in high yields under mild conditions. The plausible reaction mechanism is discussed on the basis of deuterium labeling experiments. Upon treatment with HCl, the corresponding cyclized products can be obtained in high yields from the Michael addition products. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.04.071

文献信息

• Synthesis of 2-substituted 3,4-dihydro-1,2-diazepines by the reactions of unsaturated ketones with hydrazides
  作者：Patrick N. Anderson、Carl B. Argo、John T. Sharp

  DOI：10.1039/p19810002761

  日期：——

  The previously reported synthesis of 3,4-dihydro-2-tosyl-1,2-diazepines by the acid-catalysed reactions of p-toluenesulphonylhydrazide with αβ,γδ-unsaturated ketones has been extended to other 2-substituted analogues (3) by the use of a variety of hydrazine derivative. A new acid-catalysed ring contraction, the conversion of 2-benzoyl-3,4-dihydro-1,2-diazepine (3d) into 1-benzoyl-3-methylpyrazol-2-ine

  通过的酸催化的反应的3,4-二氢-2-对甲苯磺酰-1,2-二氮杂先前报道的合成p与αβ-toluenesulphonylhydrazide，γδ不饱和酮已经扩展到其它2-取代的类似物（3）由使用多种肼衍生物。还报道了一种新的酸催化的环收缩，将2-苯甲酰基-3,4-二氢-1,2-二氮杂pine（3d）转化为1-苯甲酰基-3-甲基吡唑-2-胺（4）。
• ANDERSON, P. N.;ARGO, C. B.;SHARP, J. T., J. CHEM. SOC. PERKIN TRANS., 1981, N 11, 2761-2763
  作者：ANDERSON, P. N.、ARGO, C. B.、SHARP, J. T.

  DOI：——

  日期：——