8-(4-propylbenzyl)-2-methyl-8H-pyrazole[5,1-a]isoindole | 1610693-56-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 8-(4-propylbenzyl)-2-methyl-8H-pyrazole[5,1-a]isoindole
• 英文别名: 2-methyl-5-[(4-propylphenyl)methyl]-5H-pyrazolo[5,1-a]isoindole
• CAS: 1610693-56-5
• 化学式: C₂₁H₂₂N₂
• 分子量: 302.419
• InChiKey: DMOZBVFIGMZQPG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2-(2-[4-n-propylphenyl]ethynyl)benzaldehyde 、 丙酮 在 盐酸肼 、 三乙胺 作用下， 以 甲醇 为溶剂， 反应 12.0h， 以72%的产率得到8-(4-propylbenzyl)-2-methyl-8H-pyrazole[5,1-a]isoindole
  参考文献：
  名称：

  One-pot to fused pyrazoles by a double cyclization of o-alkynylaldehydes with ketones and hydrazine under metal-free condition

  摘要：

  An efficient one-pot synthesis of fused pyrazoles has been developed. The procedure involved three components reaction of o-alkynylaldehydes 1a-s with ketones 2a-m and hydrazine under mild, metal-free reaction conditions. The desired products were obtained in one-step up to 85% yield. The molecular structure was confirmed by the X-ray crystallographic analysis. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2014.04.032

文献信息

• One-pot to fused pyrazoles by a double cyclization of o-alkynylaldehydes with ketones and hydrazine under metal-free condition
  作者：Jinxia Qiao、Bin Liu、Zongquan Liao、Ying Li、Lei Ma、Chune Dong、Hai-Bing Zhou

  DOI：10.1016/j.tet.2014.04.032

  日期：2014.6

  An efficient one-pot synthesis of fused pyrazoles has been developed. The procedure involved three components reaction of o-alkynylaldehydes 1a-s with ketones 2a-m and hydrazine under mild, metal-free reaction conditions. The desired products were obtained in one-step up to 85% yield. The molecular structure was confirmed by the X-ray crystallographic analysis. (C) 2014 Elsevier Ltd. All rights reserved.