4,4'-hexylidene-di-resorcinol | 856105-98-1

• 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: 4,4'-hexylidene-di-resorcinol
• 英文别名: 1.1-Bis-(2.4-dihydroxy-phenyl)-hexan；4,4'-Hexyliden-di-resorcin；4-[1-(2,4-Dihydroxyphenyl)hexyl]benzene-1,3-diol
• CAS: 856105-98-1
• 化学式: C₁₈H₂₂O₄
• 分子量: 302.37
• InChiKey: DOGANSBIQOUASD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  22
• 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：

  4,4'-hexylidene-di-resorcinol 生成 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  THE CONDENSATION OF CERTAIN PHENOLS WITH SOME ALIPHATIC ALDEHYDES¹

  摘要：

  DOI：

  10.1021/ja01350a027
• 作为产物：
  描述：

  4-溴间苯二酚 在 盐酸 、 10% Pd/Al2O3 、 氢气 作用下， 以 甲醇 、 乙醇 、 水 为溶剂， 反应 7.0h， 生成 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

文献信息

• THE CONDENSATION OF CERTAIN PHENOLS WITH SOME ALIPHATIC ALDEHYDES¹
  作者：Wilton C. Harden、E. Emmet Reid

  DOI：10.1021/ja01350a027

  日期：1932.11
• 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.