3-acetyl-4-(4'-chlorophenyl)-5-n-heptyl-2-methylfuran | 1041849-98-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-acetyl-4-(4'-chlorophenyl)-5-n-heptyl-2-methylfuran
• 英文别名: 1-[4-(4-Chlorophenyl)-5-heptyl-2-methylfuran-3-yl]ethanone
• CAS: 1041849-98-2
• 化学式: C₂₀H₂₅ClO₂
• 分子量: 332.87
• InChiKey: HPMRMIUUFXTNCU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  23
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  30.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-(4-chlorophenyl)-2-nonyn-1-ol 、 乙酰丙酮 在 indium(III) chloride 作用下， 以 氯苯 为溶剂， 反应 20.0h， 以87%的产率得到3-acetyl-4-(4'-chlorophenyl)-5-n-heptyl-2-methylfuran
  参考文献：
  名称：

  Synthesis of tetrasubstituted furans via In-catalyzed propargylation of 1,3-dicarbonyl compounds-cyclization tandem process

  摘要：

  An efficient method to synthesize tetrasubstituted furans using simple starting materials such as propargylic alcohols and 1,3-dicarbonyl compounds has been developed. It was discovered that InCl3 could catalyze this transformation efficiently while other simple iron, copper and silver salts were proven to be ineffective. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.04.142

文献信息

• Synthesis of tetrasubstituted furans via In-catalyzed propargylation of 1,3-dicarbonyl compounds-cyclization tandem process
  作者：Xunbo Feng、Ze Tan、De Chen、Youming Shen、Can-Cheng Guo、Jiannan Xiang、Chengliang Zhu

  DOI：10.1016/j.tetlet.2008.04.142

  日期：2008.6

  An efficient method to synthesize tetrasubstituted furans using simple starting materials such as propargylic alcohols and 1,3-dicarbonyl compounds has been developed. It was discovered that InCl3 could catalyze this transformation efficiently while other simple iron, copper and silver salts were proven to be ineffective. (C) 2008 Elsevier Ltd. All rights reserved.