4-Bromo-6-[1-(5-bromo-2,4-dihydroxy-phenyl)hexyl]benzene-1,3-diol | 1349192-12-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-Bromo-6-[1-(5-bromo-2,4-dihydroxy-phenyl)hexyl]benzene-1,3-diol
• 英文别名: 4-bromo-6-[1-(5-bromo-2,4-dihydroxyphenyl)hexyl]benzene-1,3-diol
• CAS: 1349192-12-6
• 化学式: C₁₈H₂₀Br₂O₄
• 分子量: 460.162
• InChiKey: WDLCLSHTYAOPDQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  80.9
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-Bromo-6-[1-(5-bromo-2,4-dihydroxy-phenyl)hexyl]benzene-1,3-diol 在 10% Pd/Al2O3 、 氢气 作用下， 以 甲醇 为溶剂， 反应 4.0h， 以46%的产率得到4,4'-hexylidene-di-resorcinol
  参考文献：
  名称：

  Synthesis and antimicrobial activity of brominated resorcinol dimers

  摘要：

  Dibrominated resorcinol dimers were synthesized by reaction of 4-bromoresorcinol with aldehydes under reflux in ethanol in the presence of HCl. Subsequent dehalogenation yielded the corresponding monobrominated compounds and a fully dehalogenated dimer. Of the dimers, 6,6'-((4-hydroxyphenyl)methylene)bis(4-bromobenzene-1,3-diol) (4) displayed potent antibacterial activity and inhibitory activity against isocitrate lyase Candida albicans. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.09.072
• 作为产物：
  描述：

  4-溴间苯二酚 、 正己醛 在 盐酸 作用下， 以 乙醇 、 水 为溶剂， 反应 3.0h， 以22%的产率得到4-Bromo-6-[1-(5-bromo-2,4-dihydroxy-phenyl)hexyl]benzene-1,3-diol
  参考文献：
  名称：

  Synthesis and antimicrobial activity of brominated resorcinol dimers

  摘要：

  Dibrominated resorcinol dimers were synthesized by reaction of 4-bromoresorcinol with aldehydes under reflux in ethanol in the presence of HCl. Subsequent dehalogenation yielded the corresponding monobrominated compounds and a fully dehalogenated dimer. Of the dimers, 6,6'-((4-hydroxyphenyl)methylene)bis(4-bromobenzene-1,3-diol) (4) displayed potent antibacterial activity and inhibitory activity against isocitrate lyase Candida albicans. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.09.072

文献信息

• Synthesis and antimicrobial activity of brominated resorcinol dimers
  作者：Elise Bouthenet、Ki-Bong Oh、Seungil Park、Navjeet K. Nagi、Hyi-Seung Lee、Susan E. Matthews

  DOI：10.1016/j.bmcl.2011.09.072

  日期：2011.12

  Dibrominated resorcinol dimers were synthesized by reaction of 4-bromoresorcinol with aldehydes under reflux in ethanol in the presence of HCl. Subsequent dehalogenation yielded the corresponding monobrominated compounds and a fully dehalogenated dimer. Of the dimers, 6,6'-((4-hydroxyphenyl)methylene)bis(4-bromobenzene-1,3-diol) (4) displayed potent antibacterial activity and inhibitory activity against isocitrate lyase Candida albicans. (C) 2011 Elsevier Ltd. All rights reserved.