1-(4-trifluoromethylbenzyloxy)-2-methyl-4-chlorobenzene

• 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: 1-(4-trifluoromethylbenzyloxy)-2-methyl-4-chlorobenzene
• 英文别名: 4-Chloro-2-methyl-1-[[4-(trifluoromethyl)phenyl]methoxy]benzene；4-chloro-2-methyl-1-[[4-(trifluoromethyl)phenyl]methoxy]benzene
• 化学式: C₁₅H₁₂ClF₃O
• 分子量: 300.708
• InChiKey: RZEFGBDMTOVRDP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-甲基-1-苄氧基苯 在 磺酰氯 、 potassium carbonate 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 反应 0.84h， 生成 1-(4-trifluoromethylbenzyloxy)-2-methyl-4-chlorobenzene
  参考文献：
  名称：

  On the para-selective chlorination of ortho-cresol

  摘要：

  Merrifield-bound o-cresol undergoes electrophilic aromatic chlorination using SO2Cl2 leading to para/ortho ratios in excess of 50, the highest such ratio reported for this chlorinating agent. Model studies suggest that this significant para/ortho ratio results not just from steric effects but that considerable electronic influence can be detected. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(02)00996-1

文献信息

• On the para-selective chlorination of ortho-cresol
  作者：Emmanuelle A Bugnet、Adrian R Brough、Robert Greatrex、Terence P Kee

  DOI：10.1016/s0040-4020(02)00996-1

  日期：2002.9

  Merrifield-bound o-cresol undergoes electrophilic aromatic chlorination using SO2Cl2 leading to para/ortho ratios in excess of 50, the highest such ratio reported for this chlorinating agent. Model studies suggest that this significant para/ortho ratio results not just from steric effects but that considerable electronic influence can be detected. (C) 2002 Elsevier Science Ltd. All rights reserved.