1,1-bis(4-methoxyphenyl)-3-methyl-1-butene | 187663-90-7

• 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: 1,1-bis(4-methoxyphenyl)-3-methyl-1-butene
• 英文别名: 1-Methoxy-4-[1-(4-methoxyphenyl)-3-methylbut-1-enyl]benzene
• CAS: 187663-90-7
• 化学式: C₁₉H₂₂O₂
• 分子量: 282.382
• InChiKey: UNDGDBRSLFYRRV-UHFFFAOYSA-N

物化性质

• 沸点：
  220 °C(Press: 13 Torr)
• 密度：
  1.014±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,1-bis(4-methoxyphenyl)-3-methyl-1-butene 在 吡啶盐酸盐 作用下， 反应 0.75h， 以85%的产率得到4-[1-(4-羟基苯基)-3-甲基丁-1-烯基]苯酚
  参考文献：
  名称：

  Cytotoxicity and Antiestrogenicity of a Novel Series of Basic Diphenylethylenes

  摘要：

  On the premise that it is necessary to develop antiestrogens with a higher cytotoxic component in order to reduce the risks of the development of heterogeneous malignant cell populations in breast cancer, we studied a novel series of basic diphenylethylenes, for the most part devoid of estrogenic activity, with low antiestrogenicity but much enhanced cytotoxicity compared to the reference drug tamoxifen. The main structural features associated with cytotoxicity were E isomery, substituents of five to eight carbons on the ethylene bond, and dibasicity.

  DOI：

  10.1021/jm950624t
• 作为产物：
  描述：

  异戊酸乙酯 、 4-甲氧基苯基溴化镁 生成 1,1-bis(4-methoxyphenyl)-3-methyl-1-butene
  参考文献：
  名称：

  Cytotoxicity and Antiestrogenicity of a Novel Series of Basic Diphenylethylenes

  摘要：

  On the premise that it is necessary to develop antiestrogens with a higher cytotoxic component in order to reduce the risks of the development of heterogeneous malignant cell populations in breast cancer, we studied a novel series of basic diphenylethylenes, for the most part devoid of estrogenic activity, with low antiestrogenicity but much enhanced cytotoxicity compared to the reference drug tamoxifen. The main structural features associated with cytotoxicity were E isomery, substituents of five to eight carbons on the ethylene bond, and dibasicity.

  DOI：

  10.1021/jm950624t

文献信息

• Fritsch–Buttenberg–Wiechell rearrangement of magnesium alkylidene carbenoids leading to the formation of alkynes
  作者：Tsutomu Kimura、Koto Sekiguchi、Akane Ando、Aki Imafuji

  DOI：10.3762/bjoc.17.94

  日期：——

  chloromethyl p-tolyl sulfoxide and were converted into alkynes via the sulfoxide/magnesium exchange reaction and subsequent Fritsch–Buttenberg–Wiechell (FBW) rearrangement of the resulting magnesium alkylidene carbenoids. The mechanism of the FBW rearrangement of magnesium alkylidene carbenoids was studied by using 13C-labeled sulfoxides and by using DFT calculations.

  制备了一系列 1-杂原子取代的乙烯基对甲苯基亚砜并用有机金属试剂处理，以评估亚砜和有机金属试剂的哪种组合最有效地产生炔烃。为此目的，使用 1-氯乙烯基对甲苯基亚砜和异丙基氯化镁是最佳的。各种1-氯乙烯基p -甲苯基砜从羰基化合物制备和氯p -甲苯基砜和被转换成可经由所得镁亚烷基卡宾的亚砜/镁交换反应和随后的弗里奇-Buttenberg-Wiechell（FBW）重排炔. 研究了镁亚烷基卡宾的FBW重排机理。13 C-标记的亚砜和通过使用 DFT 计算。
• Mentzer; Dat Xuong, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1946, vol. 222, p. 1004
  作者：Mentzer、Dat Xuong

  DOI：——

  日期：——
• Cytotoxicity and Antiestrogenicity of a Novel Series of Basic Diphenylethylenes
  作者：Jacques Gilbert、Maryse Fuentes、Tiiu Ojasoo、Jean-Christophe Doré、Michel Pons

  DOI：10.1021/jm950624t

  日期：1997.3.1

  On the premise that it is necessary to develop antiestrogens with a higher cytotoxic component in order to reduce the risks of the development of heterogeneous malignant cell populations in breast cancer, we studied a novel series of basic diphenylethylenes, for the most part devoid of estrogenic activity, with low antiestrogenicity but much enhanced cytotoxicity compared to the reference drug tamoxifen. The main structural features associated with cytotoxicity were E isomery, substituents of five to eight carbons on the ethylene bond, and dibasicity.