4-methyl-1-[4-tri(propan-2-yl)silyloxyphenyl]pentan-1-one | 719310-90-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-methyl-1-[4-tri(propan-2-yl)silyloxyphenyl]pentan-1-one
• CAS: 719310-90-4
• 化学式: C₂₁H₃₆O₂Si
• 分子量: 348.601
• InChiKey: RJXXFRSMHBHMDJ-UHFFFAOYSA-N

物化性质

• 沸点：
  397.9±25.0 °C(Predicted)
• 密度：
  0.916±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.86
• 重原子数：
  24.0
• 可旋转键数：
  9.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  4-methyl-1-[4-tri(propan-2-yl)silyloxyphenyl]pentan-1-one 在 phenyltrimethylammonium tribromide 作用下， 以 四氢呋喃 为溶剂， 以100%的产率得到2-Bromo-4-methyl-1-(4-triisopropylsilanyloxy-phenyl)-pentan-1-one
  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)-4-甲基戊-1-酮 在 吡啶盐酸盐 、 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 生成 4-methyl-1-[4-tri(propan-2-yl)silyloxyphenyl]pentan-1-one
  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