2,2'-(2,2-dichlorovinylidene)bis(4-chloro-6-nitrophenol) | 70605-61-7

• 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: 2,2'-(2,2-dichlorovinylidene)bis(4-chloro-6-nitrophenol)
• 英文别名: 1,1-bis(5-chloro-2-hydroxy-3-nitrophenyl)-2,2-dichloroethylene；4-Chloro-2-[2,2-dichloro-1-(5-chloro-2-hydroxy-3-nitrophenyl)ethenyl]-6-nitrophenol
• CAS: 70605-61-7
• 化学式: C₁₄H₆Cl₄N₂O₆
• 分子量: 440.023
• InChiKey: DAWOBFCVJUADHV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  132
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2,2-bis(2-hydroxy-5-chlorophenyl)-1,1,1-trichloroethane 在 sodium hydroxide 、 copper(II) nitrate 作用下， 以 甲醇 、 溶剂黄146 、 苯 为溶剂， 生成 2,2'-(2,2-dichlorovinylidene)bis(4-chloro-6-nitrophenol)
  参考文献：
  名称：

  Alkenylidene bisphenols, a new class of bisphenol bactericide

  摘要：

  Alkenylidene bisphenols are prepared by condensation of an appropriate phenol with a haloacetaldehyde, followed by base-induced elimination, or by condensation of the corresponding aryl methyl ether, elimination, and deprotection of the phenol with boron tribromide. The resulting compounds may be further elaborated by reactions on the aromatic nucleus. A series of 13 such compounds showed activity against Staphylococcus aureus; the most active was 1,1-dichloro-2-(3-allyl-5-chloro-2-hydroxphenyl)-2-(5-chloro-2-hydroxyphenyl)ethylene (16), MIC 0.16 microgram/mL. 1,1-Dichloro-2,2-bis(5-chloro-2-hydroxyphenyl)ethylene (6) was similar in its activity and spectrum to hexachlorophene.

  DOI：

  10.1021/jm00194a022

文献信息

• US4251546A
  申请人：——

  公开号：US4251546A

  公开（公告）日：1981-02-17
• Alkenylidene bisphenols, a new class of bisphenol bactericide
  作者：Robert A. Conradi、James C. Vander Wyk、Stephen B. Bowlus

  DOI：10.1021/jm00194a022

  日期：1979.8

  Alkenylidene bisphenols are prepared by condensation of an appropriate phenol with a haloacetaldehyde, followed by base-induced elimination, or by condensation of the corresponding aryl methyl ether, elimination, and deprotection of the phenol with boron tribromide. The resulting compounds may be further elaborated by reactions on the aromatic nucleus. A series of 13 such compounds showed activity against Staphylococcus aureus; the most active was 1,1-dichloro-2-(3-allyl-5-chloro-2-hydroxphenyl)-2-(5-chloro-2-hydroxyphenyl)ethylene (16), MIC 0.16 microgram/mL. 1,1-Dichloro-2,2-bis(5-chloro-2-hydroxyphenyl)ethylene (6) was similar in its activity and spectrum to hexachlorophene.