1-[2-[Tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]-3-[4-(trifluoromethyl)phenyl]propane-1,3-dione | 462611-23-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 1-[2-[Tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]-3-[4-(trifluoromethyl)phenyl]propane-1,3-dione
• CAS: 462611-23-0
• 化学式: C₂₃H₂₇F₃O₄Si
• 分子量: 452.546
• InChiKey: YWKOSTSMCPAWQV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.55
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  1-[2-[Tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]-3-[4-(trifluoromethyl)phenyl]propane-1,3-dione 在 硫酸 、 溶剂黄146 作用下， 反应 3.0h， 生成 7-methoxy-2-(4-trifluoromethylphenyl)-4H-chromen-4-one
  参考文献：
  名称：

  Synthesis and biological evaluation of some novel 4H-benzopyran-4-one derivatives as nonsteroidal antiestrogens

  摘要：

  The preparation and characterization of some novel 2- and 3-substituted-7-methoxy-4H-1-benzopyran-4-one are presented. The synthesized compounds were evaluated for their uterotrophic, antiuterotrophic and antiimplantation activities in mature female albino rats. 3-Benzyl-7-methoxy-4H-1-benzopyran-4-one (14) showed the highest uterotrophic activity (87%) based on dry uterine weight gain. The antifertility activity, as assessed by the post-coital antiimplantation activity test, was of weak potency for most compounds (14-29%). Among the products, the 2-(4'-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one (19) exhibited the highest antiestrogenic activity of 65%. It also elicited 31% of the uterotrophic activity of estradiol. (C) 2001 Editions scientifiques et medicales Elsevier SAS.

  DOI：

  10.1016/s0223-5234(01)01218-1
• 作为产物：
  描述：

  丹皮酚 在 4-二甲氨基吡啶 、 正丁基锂 、 三乙胺 、 二异丙胺 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 为溶剂， 反应 1.0h， 生成 1-[2-[Tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]-3-[4-(trifluoromethyl)phenyl]propane-1,3-dione
  参考文献：
  名称：

  Synthesis and biological evaluation of some novel 4H-benzopyran-4-one derivatives as nonsteroidal antiestrogens

  摘要：

  The preparation and characterization of some novel 2- and 3-substituted-7-methoxy-4H-1-benzopyran-4-one are presented. The synthesized compounds were evaluated for their uterotrophic, antiuterotrophic and antiimplantation activities in mature female albino rats. 3-Benzyl-7-methoxy-4H-1-benzopyran-4-one (14) showed the highest uterotrophic activity (87%) based on dry uterine weight gain. The antifertility activity, as assessed by the post-coital antiimplantation activity test, was of weak potency for most compounds (14-29%). Among the products, the 2-(4'-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one (19) exhibited the highest antiestrogenic activity of 65%. It also elicited 31% of the uterotrophic activity of estradiol. (C) 2001 Editions scientifiques et medicales Elsevier SAS.

  DOI：

  10.1016/s0223-5234(01)01218-1

文献信息

• Synthesis and biological evaluation of some novel 4H-benzopyran-4-one derivatives as nonsteroidal antiestrogens
  作者：Khadiga Ahmed Ismail、Tarek Abd El Aziem

  DOI：10.1016/s0223-5234(01)01218-1

  日期：2001.3

  The preparation and characterization of some novel 2- and 3-substituted-7-methoxy-4H-1-benzopyran-4-one are presented. The synthesized compounds were evaluated for their uterotrophic, antiuterotrophic and antiimplantation activities in mature female albino rats. 3-Benzyl-7-methoxy-4H-1-benzopyran-4-one (14) showed the highest uterotrophic activity (87%) based on dry uterine weight gain. The antifertility activity, as assessed by the post-coital antiimplantation activity test, was of weak potency for most compounds (14-29%). Among the products, the 2-(4'-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one (19) exhibited the highest antiestrogenic activity of 65%. It also elicited 31% of the uterotrophic activity of estradiol. (C) 2001 Editions scientifiques et medicales Elsevier SAS.