2-(5-chloroisoindolin-1-yl)-1-(4-methoxyphenyl)ethanone | 1617496-61-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(5-chloroisoindolin-1-yl)-1-(4-methoxyphenyl)ethanone
• 英文别名: 2-(5-chloro-2,3-dihydro-1H-isoindol-1-yl)-1-(4-methoxyphenyl)ethanone
• CAS: 1617496-61-3
• 化学式: C₁₇H₁₆ClNO₂
• 分子量: 301.773
• InChiKey: MMQMOQCFNBGYNK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-氯苯甲醛 在 sodium hydroxide 作用下， 以 5,5-dimethyl-1,3-cyclohexadiene 、 乙醇 为溶剂， 反应 3.66h， 生成 2-(5-chloroisoindolin-1-yl)-1-(4-methoxyphenyl)ethanone
  参考文献：
  名称：

  A facile synthesis of isoindoline and Δ1-pyrrolines from chalcone and glycine by a cascade of process involving addition, in situ decarboxylation, and cyclization

  摘要：

  In this Letter, we report a rapid one-step entry into isoindoline and Delta(1)-pyrrolines from chalcone. The key step in the synthesis is the addition of glycine to chalcone. In acidic medium the reaction presumably goes through aza-Michael addition, whereas in basic medium the reaction proceeds through condensation followed by cyclization. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.05.119

文献信息

• A facile synthesis of isoindoline and Δ1-pyrrolines from chalcone and glycine by a cascade of process involving addition, in situ decarboxylation, and cyclization
  作者：Elangovan Elamparuthi、Subramaniayan Sarathkumar、Swaminathan Girija、Veerappan Anbazhagan

  DOI：10.1016/j.tetlet.2014.05.119

  日期：2014.7

  In this Letter, we report a rapid one-step entry into isoindoline and Delta(1)-pyrrolines from chalcone. The key step in the synthesis is the addition of glycine to chalcone. In acidic medium the reaction presumably goes through aza-Michael addition, whereas in basic medium the reaction proceeds through condensation followed by cyclization. (C) 2014 Elsevier Ltd. All rights reserved.