2-(2,6-dimethyl-4-hydroxyphenyl)-6-methoxybenzo[b]thiophene | 217660-46-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: 2-(2,6-dimethyl-4-hydroxyphenyl)-6-methoxybenzo[b]thiophene
• CAS: 217660-46-3
• 化学式: C₁₇H₁₆O₂S
• 分子量: 284.379
• InChiKey: FFMDGFNLWQVMCA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  20.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  29.46
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  2-trimethylstannyl-6-methoxybenzo[b]thiophene 、 4-溴-3,5-二甲酚 在 四(三苯基膦)钯 、 copper(II) oxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以37%的产率得到2-(2,6-dimethyl-4-hydroxyphenyl)-6-methoxybenzo[b]thiophene
  参考文献：
  名称：

  Synthesis of estradiol backbone mimics via the Stille reaction using copper(II) oxide as co-reagent

  摘要：

  Sterically hindered biaryls and 2-phenylbenzo[b]thiophenes that can serve as templates for mimics of the estradiol backbone were prepared in modest to good yields by the Stille reaction using CuO as a co-reagent. Due to the neutral conditions applied in the Stille reaction, protection strategies were unnecessary for hydroxy containing coupling partners. Ligandless coupling conditions were also evaluated. (C) 2010 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2010.10.144