2,5-diiodo-4-[(3,7-dimethyloctyl)oxy]phenol | 1411985-45-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2,5-diiodo-4-[(3,7-dimethyloctyl)oxy]phenol
• 英文别名: 4-(3,7-Dimethyloctoxy)-2,5-diiodophenol
• CAS: 1411985-45-9
• 化学式: C₁₆H₂₄I₂O₂
• 分子量: 502.174
• InChiKey: PUMDNCSKZJGTBQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  20
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2,5-diiodo-1,4-bis[(3,7-dimethyloctyl)oxy]benzene 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 以80%的产率得到2,5-diiodo-4-[(3,7-dimethyloctyl)oxy]phenol
  参考文献：
  名称：

  Controlled dealkylation by BBr3: efficient synthesis of para-alkoxy-phenols

  摘要：

  Controlled dealkylation of dialkyl-aryl-ethers by substoichiometric BBr3 has been developed as a general tool for the differentiation of the oxygen functions in hydroquinone derivatives. The reaction proceeds smoothly at rt either on linear or branched alkyl-ethers and provides the corresponding p-alkoxy-phenols RO-Ar-OH in high yields. With respect to the conventional alkylation path of Ar(OH)(2), this process represents a tunable and convenient route to key intermediates for conjugated materials with differentiated side chains. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.08.132