2-[4-(tert-Butyl-dimethyl-silanyloxy)-phenyl]-3-ethyl-1-(4-methoxy-phenyl)-4-phenyl-butane-1,4-dione | 386748-01-2

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物 - 二苄基丁烷木脂素
• 英文名称: 2-[4-(tert-Butyl-dimethyl-silanyloxy)-phenyl]-3-ethyl-1-(4-methoxy-phenyl)-4-phenyl-butane-1,4-dione
• CAS: 386748-01-2
• 化学式: C₃₁H₃₈O₄Si
• 分子量: 502.726
• InChiKey: QSEVFFZVDMKNGW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.95
• 重原子数：
  36.0
• 可旋转键数：
  10.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  52.6
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-[4-(tert-Butyl-dimethyl-silanyloxy)-phenyl]-3-ethyl-1-(4-methoxy-phenyl)-4-phenyl-butane-1,4-dione 在 aluminum tri-bromide 、 偶氮二甲酸二异丙酯 、 对甲苯磺酸 、 三苯基膦 、 乙硫醇 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 生成 4-{4-Ethyl-5-phenyl-3-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-furan-2-yl}-phenol
  参考文献：
  名称：

  Furans with basic side chains: synthesis and biological evaluation of a novel series of antagonists with selectivity for the estrogen receptor alpha

  摘要：

  3-Alkyl-2,4,5-triarylfurans with basic side-chain substituents were prepared as ligands for the estrogen receptor. Those analogues having the basic side chain on the C(4) phenol were high-affinity, ER alpha -selective antagonists. (C) 2001 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(01)00488-7
• 作为产物：
  描述：

  2-溴-1-苯基-1-丁酮 、 2-[4-[Tert-butyl(dimethyl)silyl]oxyphenyl]-1-(4-methoxyphenyl)ethanone 在 双(三甲基硅烷基)氨基钾 作用下， 生成 2-[4-(tert-Butyl-dimethyl-silanyloxy)-phenyl]-3-ethyl-1-(4-methoxy-phenyl)-4-phenyl-butane-1,4-dione
  参考文献：
  名称：

  Furans with basic side chains: synthesis and biological evaluation of a novel series of antagonists with selectivity for the estrogen receptor alpha

  摘要：

  3-Alkyl-2,4,5-triarylfurans with basic side-chain substituents were prepared as ligands for the estrogen receptor. Those analogues having the basic side chain on the C(4) phenol were high-affinity, ER alpha -selective antagonists. (C) 2001 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(01)00488-7