3,4,5-Trichloroguaiacol acetate | 85430-21-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 3,4,5-Trichloroguaiacol acetate
• 英文别名: Phenol, 3,4,5-trichloro-2-methoxy-, acetate；(3,4,5-trichloro-2-methoxyphenyl) acetate
• CAS: 85430-21-3
• 化学式: C₉H₇Cl₃O₃
• 分子量: 269.512
• InChiKey: LQAOAEFNWDLHIO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,4,5-Trichloroguaiacol acetate 在 氢氧化钾 作用下， 以 甲醇 、 水 为溶剂， 反应 0.33h， 以74%的产率得到3,4,5-三氯愈创木酚
  参考文献：
  名称：

  Isomer specific syntheses of chlorinated catechols and guaiacols relevant to pulp bleaching

  摘要：

  A variety of chlorinated catechols and guaiacols relevant to pulp bleaching were synthesized by employing fundamental differences in the acidities of phenolic hydroxyl groups in chlorinated catechols, and directive effects in guaiacols. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0045-6535(00)00568-3
• 作为产物：
  描述：

  4,5-二氯愈创木酚 在 硫酸 、 氯 作用下， 以 溶剂黄146 为溶剂， 反应 7.0h， 生成 3,4,5-Trichloroguaiacol acetate
  参考文献：
  名称：

  Isomer specific syntheses of chlorinated catechols and guaiacols relevant to pulp bleaching

  摘要：

  A variety of chlorinated catechols and guaiacols relevant to pulp bleaching were synthesized by employing fundamental differences in the acidities of phenolic hydroxyl groups in chlorinated catechols, and directive effects in guaiacols. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0045-6535(00)00568-3

文献信息

• Isomer specific syntheses of chlorinated catechols and guaiacols relevant to pulp bleaching
  作者：A.Bruce McKague、David R Taylor

  DOI：10.1016/s0045-6535(00)00568-3

  日期：2001.10

  A variety of chlorinated catechols and guaiacols relevant to pulp bleaching were synthesized by employing fundamental differences in the acidities of phenolic hydroxyl groups in chlorinated catechols, and directive effects in guaiacols. (C) 2001 Elsevier Science Ltd. All rights reserved.