1,4-bis(3-bromopropoxy)-2,5-dibromobenzene | 502924-22-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1,4-bis(3-bromopropoxy)-2,5-dibromobenzene
• 英文别名: 1,4-Dibromo-2,5-bis(3-bromopropoxy)benzene；1,4-dibromo-2,5-bis(3-bromopropoxy)benzene
• CAS: 502924-22-3
• 化学式: C₁₂H₁₄Br₄O₂
• 分子量: 509.858
• InChiKey: FHBJNURJCIKSJZ-UHFFFAOYSA-N

物化性质

• 沸点：
  477.8±45.0 °C(Predicted)
• 密度：
  1.944±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  18
• 可旋转键数：
  8
• 环数：
  1.0
• 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：

  1,4-bis(3-bromopropoxy)-2,5-dibromobenzene 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 以67%的产率得到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 溴 、 铁粉 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以71%的产率得到1,4-bis(3-bromopropoxy)-2,5-dibromobenzene
  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

文献信息

• Substituted hexahydrobenzodipyrans as 5-HT2A/2C receptor probes
  作者：M Whiteside

  DOI：10.1016/s0968-0896(02)00209-2

  日期：2002.10

  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.