| 144822-84-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 144822-84-4
• 化学式: C₂₉H₂₇NO₅
• 分子量: 469.537
• InChiKey: NNQTZWAKCGTVRE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.99
• 重原子数：
  35.0
• 可旋转键数：
  3.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  68.23
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  2,3-二氢-4-羟基苯并呋喃 、 1-苄基-3-乙氧羰基-4-哌啶酮盐酸盐 在 盐酸 作用下， 以 溶剂黄146 为溶剂， 反应 144.0h， 以17%的产率得到2-benzyl-1,2,3,4,8,9-hexahydro-11H-furo<3',2':7,8><1>benzopyrano<3,4-c>pyridin-11-one
  参考文献：
  名称：

  Synthesis of 11H-Furo[3',2':7,8]benzopyrano[3,4-c]pyridin-11-one and 6,8-Dimethyl-10H-pyrano[2',3':4,5]benzofuro[3,2-c]pyridin-10-one (Pyridoangelicins)

  摘要：

  11H-Furo[3',2' : 7,8]benzopyrano[3,4-c]pyridin-11-one (3) was synthesized from 1-benzyl-3-ethoxycarbonylpiperidin-4-one and 2,3-dihydro-4-hydroxybenzofuran (5) by a von Pechmann reaction and subsequent aromatization of the hexahydro derivative (6). 6,8-Dimethyl-10H-pyrano[2',3' : 4,5] benzofuro-[3,2-c]pyridin-10-one (4a) was obtained by dehydrogenation of the tetrahydro derivative (10b). This compound was prepared from piperidinone-O-(4,6-dimethylcoumarin-7-yl) oxime (9b) using acid catalyzed Fischer indole-like reaction. Are also reported and compared the results of the reactions of piperidinone-O-(coumarin-7-yl) oxime (9d) and the corresponding 5-methyl (9e) derivative, in which the rearrangement occurs at both the 8 and the 6 positions.

  DOI：

  10.3987/com-92-6021