N-allyl-N-isobutyl-4-methyl-1-(4-methoxyphenyl)pent-1-yn-3-amine | 1356648-68-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: N-allyl-N-isobutyl-4-methyl-1-(4-methoxyphenyl)pent-1-yn-3-amine
• 英文别名: 1-(4-methoxyphenyl)-4-methyl-N-(2-methylpropyl)-N-prop-2-enylpent-1-yn-3-amine
• CAS: 1356648-68-4
• 化学式: C₂₀H₂₉NO
• 分子量: 299.456
• InChiKey: BLMZESOFTPVNEZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  22
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  二异丁胺 在 potassium carbonate 、 zinc dibromide 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 38.0h， 生成 N-allyl-N-isobutyl-4-methyl-1-(4-methoxyphenyl)pent-1-yn-3-amine
  参考文献：
  名称：

  Zinc(II)-Catalyzed Redox Cross-Dehydrogenative Coupling of Propargylic Amines and Terminal Alkynes for Synthesis of N-Tethered 1,6-Enynes

  摘要：

  The zinc(II)-catalyzed redox cross-dehydrogenative coupling (CDC) of propargylic amines and terminal alkynes proceeds to afford N-tethered 1,6-enynes. In the current CDC reaction, a C(sp)-C(sp(3)) bond is formed between the carbon adjacent to the nitrogen atom in the propargylic amine and the terminal carbon of the alkyne with reduction of the C-C triple bond of the propargylic amine, which acts as an internal oxidant.

  DOI：

  10.1021/ja211092q

文献信息

• Zinc(II)-Catalyzed Redox Cross-Dehydrogenative Coupling of Propargylic Amines and Terminal Alkynes for Synthesis of <i>N</i>-Tethered 1,6-Enynes
  作者：Tsuyuka Sugiishi、Hiroyuki Nakamura

  DOI：10.1021/ja211092q

  日期：2012.2.8

  The zinc(II)-catalyzed redox cross-dehydrogenative coupling (CDC) of propargylic amines and terminal alkynes proceeds to afford N-tethered 1,6-enynes. In the current CDC reaction, a C(sp)-C(sp(3)) bond is formed between the carbon adjacent to the nitrogen atom in the propargylic amine and the terminal carbon of the alkyne with reduction of the C-C triple bond of the propargylic amine, which acts as an internal oxidant.