2-Bromo-2-thiophen-2-yl-1-(4-triisopropylsilanyloxy-phenyl)-ethanone | 412051-35-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-Bromo-2-thiophen-2-yl-1-(4-triisopropylsilanyloxy-phenyl)-ethanone
• 英文别名: 2-Bromo-2-thiophen-2-yl-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanone；2-bromo-2-thiophen-2-yl-1-[4-tri(propan-2-yl)silyloxyphenyl]ethanone
• CAS: 412051-35-5
• 化学式: C₂₁H₂₉BrO₂SSi
• 分子量: 453.516
• InChiKey: IGEIEABDESHKBA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.62
• 重原子数：
  26
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  54.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-Bromo-2-thiophen-2-yl-1-(4-triisopropylsilanyloxy-phenyl)-ethanone 在 三乙基硅烷 、 四丁基氟化铵 、 sodium hydride 、 溶剂黄146 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Estrogen receptor ligands. Part 3: The SAR of dihydrobenzoxathiin SERMs

  摘要：

  A series of 3-alkyl, 3-cycloalkyl, and 3-heteroaryl dihydrobenzoxathim analogs 1 were prepared and evaluated for estrogen/anti-estrogen activity in both in vitro and in vivo models. In general, the compounds were found to exhibit a high degree of selectivity for ERalpha over ERbeta, but were less potent than the original lead compound la in the inhibition of estradiol-driven uterine proliferation. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.02.084
• 作为产物：
  描述：

  1-(4-甲氧基苯基)-2-(2-噻吩基)-乙酮 在 吡啶盐酸盐 、 phenyltrimethylammonium tribromide 、 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 生成 2-Bromo-2-thiophen-2-yl-1-(4-triisopropylsilanyloxy-phenyl)-ethanone
  参考文献：
  名称：

  Estrogen receptor ligands. Part 3: The SAR of dihydrobenzoxathiin SERMs

  摘要：

  A series of 3-alkyl, 3-cycloalkyl, and 3-heteroaryl dihydrobenzoxathim analogs 1 were prepared and evaluated for estrogen/anti-estrogen activity in both in vitro and in vivo models. In general, the compounds were found to exhibit a high degree of selectivity for ERalpha over ERbeta, but were less potent than the original lead compound la in the inhibition of estradiol-driven uterine proliferation. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.02.084