5-formyl-2,3,4,7,8,9-hexahydrobenzo[1,2b:4,5b']dipyran | 502924-23-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 5-formyl-2,3,4,7,8,9-hexahydrobenzo[1,2b:4,5b']dipyran
• 英文别名: 2,3,4,7,8,9-Hexahydropyrano[2,3-g]chromene-5-carbaldehyde
• CAS: 502924-23-4
• 化学式: C₁₃H₁₄O₃
• 分子量: 218.252
• InChiKey: OHSUEWGEHANECQ-UHFFFAOYSA-N

物化性质

• 沸点：
  404.7±45.0 °C(Predicted)
• 密度：
  1.234±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-formyl-2,3,4,7,8,9-hexahydrobenzo[1,2b:4,5b']dipyran 在 lithium aluminium tetrahydride 、 ammonium acetate 作用下， 以 四氢呋喃 为溶剂， 反应 9.0h， 生成 5-(2-aminopropyl)-2,3,4,7,8,9-hexahydrobenzo[1,2b:4,5b']dipyran
  参考文献：
  名称：

  Substituted hexahydrobenzodipyrans as 5-HT2A/2C receptor probes

  摘要：

  A pair of substituted hexahydrobenzodipyrans was designed as molecular probes for determining the steric restrictions of the agonist binding site of serotonin 5-HT2A and 5-HT2C receptors. The rationale for the design of these receptor ligands, their chemical synthesis, rat behavioral pharmacology in the two-lever drug discrimination assay using LSD-trained rats, affinity for cloned rat 5-HT2A and 5-HT2c receptors and agonist functional activities are reported. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(02)00209-2
• 作为产物：
  描述：

  1,4-bis(3-bromopropoxy)benzene 在 正丁基锂 、 溴 、 四氯化锡 、 铁粉 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 为溶剂， 反应 24.75h， 生成 5-formyl-2,3,4,7,8,9-hexahydrobenzo[1,2b:4,5b']dipyran
  参考文献：
  名称：

  Substituted hexahydrobenzodipyrans as 5-HT2A/2C receptor probes

  摘要：

  A pair of substituted hexahydrobenzodipyrans was designed as molecular probes for determining the steric restrictions of the agonist binding site of serotonin 5-HT2A and 5-HT2C receptors. The rationale for the design of these receptor ligands, their chemical synthesis, rat behavioral pharmacology in the two-lever drug discrimination assay using LSD-trained rats, affinity for cloned rat 5-HT2A and 5-HT2c receptors and agonist functional activities are reported. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(02)00209-2