2,4,6,3'-Tetrachloro-3,4'-dihydroxybibenzyl | 1000167-45-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 2,4,6,3'-Tetrachloro-3,4'-dihydroxybibenzyl
• 英文别名: 2,4,6-trichloro-3-[2-(3-chloro-4-hydroxyphenyl)ethyl]phenol
• CAS: 1000167-45-2
• 化学式: C₁₄H₁₀Cl₄O₂
• 分子量: 352.044
• InChiKey: UYVQUQJUGXIFJW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,4,6,3'-Tetrachloro-3,4'-dihydroxybibenzyl 、 乙酸酐 在 吡啶 作用下， 反应 1.0h， 以10 mg的产率得到[4-[2-(3-Acetyloxy-2,4,6-trichlorophenyl)ethyl]-2-chlorophenyl] acetate
  参考文献：
  名称：

  Bioactive Polychlorinated Bibenzyls from the Liverwort Riccardia polyclada

  摘要：

  GC-MS and H-1 NMR spectroscopic profiling of a CDCl3 extract of the liverwort Riccardia polyclada (syn. R. umbrosa) revealed the presence of four main compounds bearing several chlorine atoms on a bibenzyl skeleton. Separation of a CH2Cl2 extract was achieved using preparative TLC, and structures 1-4 were proposed on the basis of spectroscopic evidence. Compounds 14 were active in a brine shrimp lethality bioassay (Artemia salina). In addition, 2 and 4 displayed moderate antifeedant activity in disk-choice bioassays, with Spodoptera littoralis larvae and inhibited the growth of Cladosporium herbarum cultures on TLC plates.

  DOI：

  10.1021/np070192c

文献信息

• Bioactive Polychlorinated Bibenzyls from the Liverwort <i>Riccardia polyclada</i>
  作者：Cecilia Labbé、Francesca Faini、Carolina Villagrán、Josep Coll、David S. Rycroft

  DOI：10.1021/np070192c

  日期：2007.12.1

  GC-MS and H-1 NMR spectroscopic profiling of a CDCl3 extract of the liverwort Riccardia polyclada (syn. R. umbrosa) revealed the presence of four main compounds bearing several chlorine atoms on a bibenzyl skeleton. Separation of a CH2Cl2 extract was achieved using preparative TLC, and structures 1-4 were proposed on the basis of spectroscopic evidence. Compounds 14 were active in a brine shrimp lethality bioassay (Artemia salina). In addition, 2 and 4 displayed moderate antifeedant activity in disk-choice bioassays, with Spodoptera littoralis larvae and inhibited the growth of Cladosporium herbarum cultures on TLC plates.