2-(3',3'-dimethylbut-1'-ynyl)-4,6-dimethoxy-1,3,5-triazine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 2-(3',3'-dimethylbut-1'-ynyl)-4,6-dimethoxy-1,3,5-triazine
• 英文别名: 2-(3,3-Dimethylbut-1-ynyl)-4,6-dimethoxy-1,3,5-triazine
• 化学式: C₁₁H₁₅N₃O₂
• 分子量: 221.259
• InChiKey: HDOQCYBURIMHGR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  57.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-氯-4,6-二甲氧基-1,3,5-三嗪 、 3,3-二甲基-1-丁炔 在 palladium on activated charcoal 、 18-冠醚-6 copper(l) iodide 、 potassium carbonate 、 三苯基膦 作用下， 以 乙腈 为溶剂， 反应 8.0h， 以60%的产率得到2-(3',3'-dimethylbut-1'-ynyl)-4,6-dimethoxy-1,3,5-triazine
  参考文献：
  名称：

  Palladium on carbon catalyzed cross-coupling between alk-1-ynes and 2-chloro-4,6-dialkoxy-1,3,5-triazines

  摘要：

  2-(Alk-1'-ynyl)-4,6-dialkoxy-1,3,5-triazines have been synthesized in satisfactory yields by (Pd/C)/PPh3/CuI catalyzed cross-coupling between alk-1-ynes and 2-chloro-4,6-dialkoxy-1,3,5-triazines carried out in the presence of diisopropylethylamine or K2CO3/18-crown-6. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)01230-3

文献信息

• 2-(Alk-1′-ynyl)-4,6-dimethoxy-1,3,5-triazines via Pd-mediated alkynylation of 2-chloro-4,6-dimethoxy-1,3,5-triazine
  作者：Rita Menicagli、Simona Samaritani、Susanna Gori

  DOI：10.1016/s0040-4039(99)01737-2

  日期：1999.11

  In the presence of a catalytic amount of (Ph3P)(4)Pd, 2-chloro-4,6-dimethoxy-1,3,5-triazine reacts with alk-1-ynes to give the corresponding 2-(alk-1'-ynyl)-derivatives in satisfactory yields. Depending on the nature of the alk-1-ynes, Pd(10%)/C can also be used to catalyze the cross-coupling. (C) 1999 Elsevier Science Ltd. All rights reserved.
• Palladium on carbon catalyzed cross-coupling between alk-1-ynes and 2-chloro-4,6-dialkoxy-1,3,5-triazines
  作者：Simona Samaritani、Rita Menicagli

  DOI：10.1016/s0040-4020(01)01230-3

  日期：2002.2

  2-(Alk-1'-ynyl)-4,6-dialkoxy-1,3,5-triazines have been synthesized in satisfactory yields by (Pd/C)/PPh3/CuI catalyzed cross-coupling between alk-1-ynes and 2-chloro-4,6-dialkoxy-1,3,5-triazines carried out in the presence of diisopropylethylamine or K2CO3/18-crown-6. (C) 2002 Elsevier Science Ltd. All rights reserved.