N-benzyl-2-bromo-N-[2-(tert-butylamino)-1-(4-chlorophenyl)-2-oxoethyl]benzamide | 1422962-08-0

• 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: N-benzyl-2-bromo-N-[2-(tert-butylamino)-1-(4-chlorophenyl)-2-oxoethyl]benzamide
• CAS: 1422962-08-0
• 化学式: C₂₆H₂₆BrClN₂O₂
• 分子量: 513.862
• InChiKey: APBYHUYCXIOFLW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  49.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-benzyl-2-bromo-N-[2-(tert-butylamino)-1-(4-chlorophenyl)-2-oxoethyl]benzamide 在 copper(l) iodide 、 1,10-菲罗啉 、 potassium tert-butylate 作用下， 以 甲苯 为溶剂， 以68%的产率得到2-benzyl-3-(4-chlorophenyl)isoindolin-1-one
  参考文献：
  名称：

  Facile synthesis of diverse isoindolinone derivatives via Ugi-4CR followed by Cu-catalyzed deamidative C(sp2)–C(sp3) coupling

  摘要：

  The present work highlights a synthetic approach to the diverse isoindolinone derivatives using Ugi-4CR followed by a Cu-catalyzed deamidative C-C coupling reaction.This two-step sequence tolerates a broad range of amines, aldehydes, and isocyanides as starting materials for Ugi-4CR products to provide medicinally relevant isoindolinone derivatives in moderate to good yields. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.12.091
• 作为产物：
  描述：

  异氰酸叔丁酯 、 4-氯苯甲醛 、 苄胺 、 2-溴苯甲酸 以 甲醇 为溶剂， 以90%的产率得到N-benzyl-2-bromo-N-[2-(tert-butylamino)-1-(4-chlorophenyl)-2-oxoethyl]benzamide
  参考文献：
  名称：

  Facile synthesis of diverse isoindolinone derivatives via Ugi-4CR followed by Cu-catalyzed deamidative C(sp2)–C(sp3) coupling

  摘要：

  The present work highlights a synthetic approach to the diverse isoindolinone derivatives using Ugi-4CR followed by a Cu-catalyzed deamidative C-C coupling reaction.This two-step sequence tolerates a broad range of amines, aldehydes, and isocyanides as starting materials for Ugi-4CR products to provide medicinally relevant isoindolinone derivatives in moderate to good yields. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.12.091

文献信息

• Facile synthesis of diverse isoindolinone derivatives via Ugi-4CR followed by Cu-catalyzed deamidative C(sp2)–C(sp3) coupling
  作者：Vikas Tyagi、Shahnawaz Khan、Prem M.S. Chauhan

  DOI：10.1016/j.tetlet.2012.12.091

  日期：2013.3

  The present work highlights a synthetic approach to the diverse isoindolinone derivatives using Ugi-4CR followed by a Cu-catalyzed deamidative C-C coupling reaction.This two-step sequence tolerates a broad range of amines, aldehydes, and isocyanides as starting materials for Ugi-4CR products to provide medicinally relevant isoindolinone derivatives in moderate to good yields. (C) 2013 Elsevier Ltd. All rights reserved.