1-benzyl-5-methyl-1,3-dihydro-1-benzazepin-2-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: 1-benzyl-5-methyl-1,3-dihydro-1-benzazepin-2-one
• 英文别名: 1-benzyl-5-methyl-3H-1-benzazepin-2-one
• 化学式: C₁₈H₁₇NO
• 分子量: 263.339
• InChiKey: NEWQXUISHAQTGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  4-戊烯酸 在 palladium diacetate 草酰氯 、 四丁基氯化铵 、 potassium acetate 、 N,N-二甲基甲酰胺 作用下， 以 乙醚 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 25.0h， 生成 1-benzyl-5-methyl-1,3-dihydro-1-benzazepin-2-one
  参考文献：
  名称：

  Ligand Effects in the Synthesis of N-Heterocycles by Intramolecular Heck Reactions

  摘要：

  Chemo- and regioselectivity of intramolecular Heck reactions are dependent on the type of ligand employed. Six- to eight-membered benzolactarns are produced in good yields using PPh3 as ligand. In contrast, a biaryl coupling occur-red preferentially under ligandless conditions to form a dihydrophenanthridine product. Conformations of the seven- and eight-membered benzolactarns in the solid state were examined by X-ray crystallography.

  DOI：

  10.1021/jo0522660

文献信息

• Ligand Effects in the Synthesis of <i>N</i>-Heterocycles by Intramolecular Heck Reactions
  作者：Emma L. Cropper、Andrew J. P. White、Agnes Ford、King Kuok (Mimi) Hii

  DOI：10.1021/jo0522660

  日期：2006.2.1

  Chemo- and regioselectivity of intramolecular Heck reactions are dependent on the type of ligand employed. Six- to eight-membered benzolactarns are produced in good yields using PPh3 as ligand. In contrast, a biaryl coupling occur-red preferentially under ligandless conditions to form a dihydrophenanthridine product. Conformations of the seven- and eight-membered benzolactarns in the solid state were examined by X-ray crystallography.