4-Propyl-1,3,4,5-tetrahydro-2H-<1>benzopyrano<3,4-b>pyridin-1-one | 118715-92-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噁庚英
• 英文名称: 4-Propyl-1,3,4,5-tetrahydro-2H-<1>benzopyrano<3,4-b>pyridin-1-one
• 英文别名: 4-propyl-3,5-dihydro-2H-chromeno[3,4-b]pyridin-1-one
• CAS: 118715-92-7
• 化学式: C₁₅H₁₇NO₂
• 分子量: 243.305
• InChiKey: IIWKTPMPOIFNER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.47
• 重原子数：
  18.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  29.54
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  4-Propyl-1,3,4,5-tetrahydro-2H-<1>benzopyrano<3,4-b>pyridin-1-one 生成 4-Propyl-3,4,4a,5-tetrahydro-2H-[1]benzopyrano[3,4-b]pyridine
  参考文献：
  名称：

  2H-[1]Benzopyrano[3,4-b]pyridines. Synthesis and activity at central monoamine receptors

  摘要：

  Two general synthetic approaches to a novel series of 2H-[1]benzopyrano[3,4-b]pyridines are described together with their receptor binding profile at a variety of monoamine receptors in mammalian brain tissue. The biologically active members of this series fall into into one of two broad classes: 3,4,4a,5-tetrahydro-2H-[1]benzopyrano[3,4-b]pyridines or trans-1,3,4,4a,5,10b-hexahydro-2H-[1]benzopyrano[3,4-b]pyridines. By appropriate pharmacophoric modification potent selective ligands for D2, alpha-2, 5HT1A, and 5HT2 receptors may be obtained. The previously published in vivo data on certain key representatives of these series are also summarized.

  DOI：

  10.1021/jm00123a039
• 作为产物：
  描述：

  苯并二氢吡喃-3-酮 、 N-propyl-β-alanine methyl ester 在 三氟乙酸 作用下， 以 甲苯 为溶剂， 反应 16.0h， 以42%的产率得到4-Propyl-1,3,4,5-tetrahydro-2H-<1>benzopyrano<3,4-b>pyridin-1-one
  参考文献：
  名称：

  2H-[1]Benzopyrano[3,4-b]pyridines. Synthesis and activity at central monoamine receptors

  摘要：

  Two general synthetic approaches to a novel series of 2H-[1]benzopyrano[3,4-b]pyridines are described together with their receptor binding profile at a variety of monoamine receptors in mammalian brain tissue. The biologically active members of this series fall into into one of two broad classes: 3,4,4a,5-tetrahydro-2H-[1]benzopyrano[3,4-b]pyridines or trans-1,3,4,4a,5,10b-hexahydro-2H-[1]benzopyrano[3,4-b]pyridines. By appropriate pharmacophoric modification potent selective ligands for D2, alpha-2, 5HT1A, and 5HT2 receptors may be obtained. The previously published in vivo data on certain key representatives of these series are also summarized.

  DOI：

  10.1021/jm00123a039

文献信息

• HUTCHISON, ALAN;WILLIAMS, MICHAEL;DE, JESUS REYNALDA;STONE, GEORGE A.;SYL+, J. MED. CHEM., 32,(1989) N, C. 720-727
  作者：HUTCHISON, ALAN、WILLIAMS, MICHAEL、DE, JESUS REYNALDA、STONE, GEORGE A.、SYL+

  DOI：——

  日期：——