2,3-di-tert-butyl 1-methyl (1E,3E)-1-(acetylamino)-4-(dimethylamino)buta-1,3-diene-1,2,3-tricarboxylate | 1038399-82-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2,3-di-tert-butyl 1-methyl (1E,3E)-1-(acetylamino)-4-(dimethylamino)buta-1,3-diene-1,2,3-tricarboxylate
• 英文别名: 2-O,3-O-ditert-butyl 1-O-methyl (1E,3E)-1-acetamido-4-(dimethylamino)buta-1,3-diene-1,2,3-tricarboxylate
• CAS: 1038399-82-4
• 化学式: C₂₀H₃₂N₂O₇
• 分子量: 412.483
• InChiKey: AEVOYUDSIOTAKL-VVOKNZMXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  29
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  111
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  丁炔二酸二叔丁酯 乙炔二羧酸二叔丁酯 、 methyl (Z)-2-acetylamino-3-(dimethylamino)propenoate 以 乙腈 为溶剂， 反应 3.33h， 以73%的产率得到2,3-di-tert-butyl 1-methyl (1E,3E)-1-(acetylamino)-4-(dimethylamino)buta-1,3-diene-1,2,3-tricarboxylate
  参考文献：
  名称：

  Regiospecific [2+2] cycloadditions of electron-poor acetylenes to (Z)-2-acylamino-3-dimethylaminopropenoates: synthesis of highly functionalised buta-1,3-dienes

  摘要：

  Microwave-assisted [2+2] cycloaddition reactions of 2-amino-3-dimethylaminopropenoates with acetylenecarboxylates furnished highly functionalised 1-amino-4-(dimethylamino)buta-1,3-dienes in 40-94% yields. All reactions were observed to consistently produce single geometrical isomers, and in cases where non-symmetrical acetylenes were employed the reactions proceeded in a regiospecific manner. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.04.021

文献信息

• Regiospecific [2+2] cycloadditions of electron-poor acetylenes to (Z)-2-acylamino-3-dimethylaminopropenoates: synthesis of highly functionalised buta-1,3-dienes
  作者：Uroš Uršič、Uroš Grošelj、Anton Meden、Jurij Svete、Branko Stanovnik

  DOI：10.1016/j.tetlet.2008.04.021

  日期：2008.6

  Microwave-assisted [2+2] cycloaddition reactions of 2-amino-3-dimethylaminopropenoates with acetylenecarboxylates furnished highly functionalised 1-amino-4-(dimethylamino)buta-1,3-dienes in 40-94% yields. All reactions were observed to consistently produce single geometrical isomers, and in cases where non-symmetrical acetylenes were employed the reactions proceeded in a regiospecific manner. (C) 2008 Elsevier Ltd. All rights reserved.