2,3,4,7,8,9-hexahydrobenzo[1,2b:4,5b']dipyran | 5628-39-7

• 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: 2,3,4,7,8,9-hexahydrobenzo[1,2b:4,5b']dipyran
• 英文别名: 2,3,4,7,8,9-hexahydro-pyrano[2,3-g]chromene；2,3,7,8-Tetrahydrobenzo<1,2-b:4,5-b'>dipyran；Tetrahydro-benzo<1,2-b:4,5-b'>dipyran；2,3,4,7,8,9-Hexahydropyrano[2,3-g]chromene
• CAS: 5628-39-7
• 化学式: C₁₂H₁₄O₂
• 分子量: 190.242
• InChiKey: KYHCHIGTBWLJKV-UHFFFAOYSA-N

物化性质

• 熔点：
  101-102 °C(Solv: ligroine (8032-32-4))
• 沸点：
  328.0±42.0 °C(Predicted)
• 密度：
  1.151±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,3,4,7,8,9-hexahydrobenzo[1,2b:4,5b']dipyran 在 ammonium acetate 、 四氯化锡 作用下， 以 二氯甲烷 为溶剂， 反应 5.25h， 生成 5-(2-nitro-1-propenyl)-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：

  benzo(1,2-b;4,5-b)dipyran 生成 2,3,4,7,8,9-hexahydrobenzo[1,2b:4,5b']dipyran
  参考文献：
  名称：

  VENUGAPELEN, SINDUMADHAVAN;SALASUBRAMANIAN, KALPATTU, KUPPUSWAMY, HETEROCYCLES, 1985, 23, N 1, 81-92

  摘要：

  DOI：

文献信息

• Intramolecular double or triple Suzuki coupling reaction of substituted di- or tribromobenzenes. An easy synthesis of fused tri- or tetracycles with a benzene core
  作者：Shengming Ma、Bukuo Ni、Shaohui Lin、Zhiqiang Liang

  DOI：10.1016/j.jorganchem.2005.06.021

  日期：2005.11

  Double or triple intramolecular Suzuki coupling reaction has been developed for the efficient synthesis of tri- or tetracyclic products with a benzene core in good yields. The reaction was realized via a one-pot procedure combining the hydroboration of the CC bond in the starting aryl halides and the intramolecular Suzuki coupling.

  已经开发了双分子或三分子Suzuki分子内偶联反应，用于以良好的收率有效合成具有苯核的三或四环产物。该反应通过一锅法实现，该方法结合了起始芳基卤化物中CC键的硼氢化和分子内Suzuki偶联。
• Venugopalan, Bindumadhavan; Balasubramanian,Kalpattu Kuppuswamy, Heterocycles, 1985, vol. 23, # 1, p. 81 - 92
  作者：Venugopalan, Bindumadhavan、Balasubramanian,Kalpattu Kuppuswamy

  DOI：——

  日期：——