bis-(5-bromo-2,4-dihydroxy-phenyl)-(4-nitro-phenyl)-methane | 129758-77-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: bis-(5-bromo-2,4-dihydroxy-phenyl)-(4-nitro-phenyl)-methane
• 英文别名: Bis-(5-brom-2,4-dihydroxy-phenyl)-(4-nitro-phenyl)-methan；5.5'-Dibrom-4''-nitro-2.4.2'.4'-tetraoxy-triphenylmethan；4-Bromo-6-[(5-bromo-2,4-dihydroxy-phenyl)-(4-nitrophenyl)methyl]benzene-1,3-diol；4-bromo-6-[(5-bromo-2,4-dihydroxyphenyl)-(4-nitrophenyl)methyl]benzene-1,3-diol
• CAS: 129758-77-6
• 化学式: C₁₉H₁₃Br₂NO₆
• 分子量: 511.123
• InChiKey: BHVHJSYIIJRWKC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  127
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  bis-(5-bromo-2,4-dihydroxy-phenyl)-(4-nitro-phenyl)-methane 在 10% Pd/Al2O3 、 氢气 作用下， 以 甲醇 为溶剂， 反应 4.0h， 以23%的产率得到4-Bromo-6-[(2,4-dihydroxyphenyl)-(4-nitrophenyl)methyl]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
• 作为产物：
  描述：

  对硝基苯甲醛 在 盐酸 、 水 、 溴 、 溶剂黄146 作用下， 生成 bis-(5-bromo-2,4-dihydroxy-phenyl)-(4-nitro-phenyl)-methane
  参考文献：
  名称：

  King; Lowy, Journal of the American Chemical Society, 1924, vol. 46, p. 759

  摘要：

  DOI：

文献信息

• Calix[4]arenes with resorcinol units incorporated in 2,6-position
  作者：Monir Tabatabai、Walter Vogt、Volker Böhmer

  DOI：10.1016/s0040-4039(00)89047-4

  日期：1990.1

  Calix[4]arenes containing one or two resorcinol units incorporated via their 2,6-positions were prepared by fragment condensation. Due to the cyclic array of intramolecular hydrogen bonds these molecules assume the cone-conformation.

  通过片段缩合制备含有通过其2，6-位结合的一个或两个间苯二酚单元的杯[4]芳烃。由于分子内氢键的环状排列，这些分子呈现圆锥构象。
• TABATABAI, MONIR;VOGT, WALTER;BOHMER, VOLKER, TETRAHEDRON LETT., 31,(1990) N3, C. 3295-3298
  作者：TABATABAI, MONIR、VOGT, WALTER、BOHMER, VOLKER

  DOI：——

  日期：——
• 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.
• King; Lowy, Journal of the American Chemical Society, 1924, vol. 46, p. 759
  作者：King、Lowy

  DOI：——

  日期：——