5-(tert-butyl-dimethyl-silyloxy)-2-[7-(tert-butyl-dimethyl-silyloxy)-4-[(4-dimethylamino-phenyl)-hydroxy-methyl]-2H-chromen-3-yl]-phenol | 554430-19-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异黄酮类化合物
• 英文名称: 5-(tert-butyl-dimethyl-silyloxy)-2-[7-(tert-butyl-dimethyl-silyloxy)-4-[(4-dimethylamino-phenyl)-hydroxy-methyl]-2H-chromen-3-yl]-phenol
• 英文别名: 5-[tert-butyl(dimethyl)silyl]oxy-2-[7-[tert-butyl(dimethyl)silyl]oxy-4-[[4-(dimethylamino)phenyl]-hydroxymethyl]-2H-chromen-3-yl]phenol
• CAS: 554430-19-2
• 化学式: C₃₆H₅₁NO₅Si₂
• 分子量: 633.976
• InChiKey: YVAQOOGYDDIDJB-UHFFFAOYSA-N

物化性质

• 沸点：
  665.2±55.0 °C(Predicted)
• 密度：
  1.096±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9.26
• 重原子数：
  44
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  71.4
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-(tert-butyl-dimethyl-silyloxy)-2-[7-(tert-butyl-dimethyl-silyloxy)-4-[(4-dimethylamino-phenyl)-hydroxy-methyl]-2H-chromen-3-yl]-phenol 在 4 A molecular sieve 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 为溶剂， 反应 18.0h， 生成 2,8-bis-(tert-butyl-dimethyl-silyloxy)-5-(4-dimethylamino)-phenyl-5,11-dihydro-chromeno[4,3-c]-chromene
  参考文献：
  名称：

  Novel Chromene-Derived Selective Estrogen Receptor Modulators Useful for Alleviating Hot Flushes and Vaginal Dryness

  摘要：

  A novel SERM (selective estrogen receptor modulators), 1-(R), a chromene-derived bisbenzopyran, was discovered to alleviate hot flushes and effectively increase vaginal fluidity in rats. Moreover, 1-(R) was found to have beneficial effects on plasma cholesterol and bone metabolism while maintaining antiestrogenic activity in the uterus. The biological profile of its enantiomer 1-(S) was also evaluated.

  DOI：

  10.1021/jm060353u
• 作为产物：
  描述：

  2,8-dihydroxy-11H-chromeno[4,3-c]chromen-5-one 在 二异丁基氢化铝 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 甲苯 为溶剂， 反应 37.0h， 生成 5-(tert-butyl-dimethyl-silyloxy)-2-[7-(tert-butyl-dimethyl-silyloxy)-4-[(4-dimethylamino-phenyl)-hydroxy-methyl]-2H-chromen-3-yl]-phenol
  参考文献：
  名称：

  Novel Chromene-Derived Selective Estrogen Receptor Modulators Useful for Alleviating Hot Flushes and Vaginal Dryness

  摘要：

  A novel SERM (selective estrogen receptor modulators), 1-(R), a chromene-derived bisbenzopyran, was discovered to alleviate hot flushes and effectively increase vaginal fluidity in rats. Moreover, 1-(R) was found to have beneficial effects on plasma cholesterol and bone metabolism while maintaining antiestrogenic activity in the uterus. The biological profile of its enantiomer 1-(S) was also evaluated.

  DOI：

  10.1021/jm060353u