1-(2-羟基-4-{[2-(三甲基甲硅烷基)乙氧基]甲氧基}苯基)乙酮 | 850868-88-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(2-羟基-4-{[2-(三甲基甲硅烷基)乙氧基]甲氧基}苯基)乙酮
• 英文名称: 1-(2-hydroxy-4-{[2-(trimethylsilyl)ethoxy]methoxy}phenyl)ethanone
• 英文别名: 1-[2-hydroxy-4-(2-trimethylsilanyl-ethoxymethoxy)-phenyl]-ethanone；1-[2-hydroxy-4-(2-trimethylsilylethoxymethoxy)phenyl]ethanone
• CAS: 850868-88-1
• 化学式: C₁₄H₂₂O₄Si
• 分子量: 282.412
• InChiKey: GDJWUDSBRKABGF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.29
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(2-羟基-4-{[2-(三甲基甲硅烷基)乙氧基]甲氧基}苯基)乙酮 在 氢氧化钾 、 potassium carbonate 作用下， 以 乙醇 、 丙酮 为溶剂， 反应 36.0h， 生成 (E)-1-(2-Allyloxy-4-hydroxy-phenyl)-3-(2,4-bis-methoxymethoxy-phenyl)-propenone
  参考文献：
  名称：

  A short synthesis of morachalcone A

  摘要：

  Advanced C-prenylated intermediates for three aromatase inhibitors, including morachalcone A, can be synthesized through a Claisen-Schmidt condensation followed by Florisil((R))-catalyzed [1,3]-sigma tropic rearrangement of a prenyl phenyl ether. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.01.174
• 作为产物：
  描述：

  2,4-二羟基苯乙酮 、 2-(三甲基硅烷基)乙氧甲基氯 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 18.0h， 以82%的产率得到1-(2-羟基-4-{[2-(三甲基甲硅烷基)乙氧基]甲氧基}苯基)乙酮
  参考文献：
  名称：

  The synthetic preparation of naturally-occurring aromatase inhibitors, morachalcone A, isogemichalcone B, and isogemichalcone C

  摘要：

  A convergent synthesis applicable to the preparation of oxidized prenylchalcones is reported that relies on key Claisen-Schmidt, Mitsunobu, and vinyl/benzyl Stille coupling operations. The synthetic strategy was applied towards the preparation of the natural products morachalcone A and isogemichalcones B & C, allowing their preparation in less than 10 steps and 6-8% overall yield. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.09.068

文献信息

• A Convenient Synthesis of 3-Pyridinyl- and 3-Pyrimidinylcoumarins
  作者：Xuqing Zhang、Zhihua Sui

  DOI：10.1055/s-2006-942461

  日期：2006.8

  A mild and efficient synthesis of 3-pyridinyl- and 3-pyrimidinylcoumarins through one-pot tandem condensation-cyclization of various 2′-hydroxyacetophenones and pyridinyl- or pyrimidinylacetic acids is described.

  通过各种 2′-羟基苯乙酮与吡啶基或嘧啶基乙酸的单锅串联缩合-环化反应，描述了一种温和高效的 3-吡啶基和 3-嘧啶基香豆素合成方法。
• Novel heterocyclic benzo[c]chromene derivatives useful as modulators of the estrogen receptors
  申请人：Zhang Xuqing

  公开号：US20060205741A1

  公开（公告）日：2006-09-14

  The present invention is directed to novel heterocyclic benzo[c]chromene derivatives, pharmaceutical compositions containing them and their use in the treatment of disorders mediated by one or more estrogen receptors. The compounds of the invention are useful in the treatment of disorders associated with the depletion of estrogen such as hot flashes, vaginal dryness, osteopenia and osteoporosis; hormone sensitive cancers and hyperplasia of the breast, endometrium, cervix and prostate; endometriosis, uterine fibroids, osteoarthritis and as contraceptive agents, alone or in combination with a progestogen or progestogen antagonist.

  本发明涉及新型杂环苯并[c]色烯衍生物、含有它们的制药组合物以及它们在治疗由一个或多个雌激素受体介导的疾病中的应用。本发明的化合物在治疗与雌激素耗竭相关的疾病方面有用，例如潮热、阴道干燥、骨质疏松和骨质疏松症；激素敏感性癌症和乳腺、子宫内膜、宫颈和前列腺的增生；子宫内膜异位症、子宫肌瘤、骨关节炎以及作为避孕药物，单独或与孕激素或孕激素拮抗剂联合使用。
• NOVEL HETEROCYCLIC BENZO[C]CHROMENE DERIVATIVES USEFUL AS MODULATORS OF THE ESTROGEN RECEPTORS
  申请人：Zhang Xuqing

  公开号：US20080221125A1

  公开（公告）日：2008-09-11

  The present invention is directed to novel heterocyclic benzo[c]chromene derivatives, pharmaceutical compositions containing them and their use in the treatment of disorders mediated by one or more estrogen receptors. The compounds of the invention are useful in the treatment of disorders associated with the depletion of estrogen such as hot flashes, vaginal dryness, osteopenia and osteoporosis; hormone sensitive cancers and hyperplasia of the breast, endometrium, cervix and prostate; endometriosis, uterine fibroids, osteoarthritis and as contraceptive agents, alone or in combination with a progestogen or progestogen antagonist.

  本发明涉及新型杂环苯并[c]色烯衍生物，包括含有它们的制药组合物以及它们在治疗由一个或多个雌激素受体介导的疾病方面的用途。本发明的化合物在治疗与雌激素耗竭有关的疾病方面具有用途，例如潮热、阴道干燥、骨质疏松症和骨质疏松症；激素敏感性癌症和乳腺、子宫内膜、子宫颈和前列腺的增生；子宫内膜异位症、子宫肌瘤、骨关节炎以及作为避孕剂，单独使用或与孕激素或孕激素拮抗剂联合使用。
• Heterocyclic benzo[c]chromene derivatives useful as modulators of the estrogen receptors
  申请人：Ortho-McNeil Pharmaceutical, Inc.

  公开号：US07399767B2

  公开（公告）日：2008-07-15

  The present invention is directed to novel heterocyclic benzo[c]chromene derivatives, pharmaceutical compositions containing them and their use in the treatment of disorders mediated by one or more estrogen receptors. The compounds of the invention are useful in the treatment of disorders associated with the depletion of estrogen such as hot flashes, vaginal dryness, osteopenia and osteoporosis; hormone sensitive cancers and hyperplasia of the breast, endometrium, cervix and prostate; endometriosis, uterine fibroids, osteoarthritis and as contraceptive agents, alone or in combination with a progestogen or progestogen antagonist.

  本发明涉及新型杂环苯并[c]色烯衍生物、含有它们的制药组合物以及它们在治疗由一个或多个雌激素受体介导的疾病中的应用。该发明的化合物可用于治疗与雌激素缺乏有关的疾病，如潮热、阴道干燥、骨质疏松和骨质疏松症；激素敏感性癌症和乳腺、子宫内膜、宫颈和前列腺的增生；子宫内膜异位症、子宫肌瘤、骨关节炎以及作为避孕剂，单独或与孕激素或孕激素拮抗剂联合使用。
• WO2006/78834
  申请人：——

  公开号：——

  公开（公告）日：——