2-Bromo-2-(3-bromo-4-triisopropylsilanyloxy-phenyl)-1-(3-hydroxy-phenyl)-ethanone | 742080-49-5

• 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: 2-Bromo-2-(3-bromo-4-triisopropylsilanyloxy-phenyl)-1-(3-hydroxy-phenyl)-ethanone
• CAS: 742080-49-5
• 化学式: C₂₃H₃₀Br₂O₃Si
• 分子量: 542.383
• InChiKey: YBBGJSXTCCESOF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.03
• 重原子数：
  29.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  46.53
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-Bromo-2-(3-bromo-4-triisopropylsilanyloxy-phenyl)-1-(3-hydroxy-phenyl)-ethanone 在 三乙基硅烷 、 偶氮二甲酸二异丙酯 、 四丁基氟化铵 、 sodium hydride 、 三乙胺 、 三苯基膦 、 三氟乙酸 作用下， 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Estrogen receptor ligands. Part 6: Synthesis and binding affinity of dihydrobenzodithiins

  摘要：

  Dihydrobenzodithiin compounds (1-6) were prepared to explore the expansion of the dihydrobenzoxathiin lead compounds I-III as SERAMs (Selective Estrogen Receptor Alpha Modulators). The dihydrobenzodithiin compounds generally maintained a high degree of selectivity for ERalpha over ERbeta, however, they lacked the in vivo antagonism/agonism activity exhibited by the lead class in an immature rat uterine growth model. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.101
• 作为产物：
  描述：

  2-(3-Bromo-4-triisopropylsilanyloxy-phenyl)-1-(3-hydroxy-phenyl)-ethanone 在 PTAB 作用下， 以 四氢呋喃 为溶剂， 以79%的产率得到2-Bromo-2-(3-bromo-4-triisopropylsilanyloxy-phenyl)-1-(3-hydroxy-phenyl)-ethanone
  参考文献：
  名称：

  Estrogen receptor ligands. Part 6: Synthesis and binding affinity of dihydrobenzodithiins

  摘要：

  Dihydrobenzodithiin compounds (1-6) were prepared to explore the expansion of the dihydrobenzoxathiin lead compounds I-III as SERAMs (Selective Estrogen Receptor Alpha Modulators). The dihydrobenzodithiin compounds generally maintained a high degree of selectivity for ERalpha over ERbeta, however, they lacked the in vivo antagonism/agonism activity exhibited by the lead class in an immature rat uterine growth model. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.101