(4-acetyl-phenylsulfanyl)-acetic acid methyl ester | 92017-04-4

• 英文名称: (4-acetyl-phenylsulfanyl)-acetic acid methyl ester
• 英文别名: methyl 2-((4-acetylphenyl)thio)acetate；(4-Acetyl-phenylmercapto)-essigsaeure-methylester；methyl 2-(4-acetylphenyl)sulfanylacetate
• CAS: 92017-04-4
• 化学式: C₁₁H₁₂O₃S
• 分子量: 224.28
• InChiKey: UOOUOLSZDFJNCP-UHFFFAOYSA-N

物化性质

• 沸点：
  346.3±27.0 °C(Predicted)
• 密度：
  1.20±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  68.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (4-acetyl-phenylsulfanyl)-acetic acid methyl ester 在 lithium hydroxide 、 三氯化铝 、 氯化亚砜 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 1,2-二氯乙烷 为溶剂， 生成 trifluoro-methanesulfonic acid 5-acetyl-benzo[b]thiophen-3-yl ester
  参考文献：
  名称：

  Design and synthesis of benzofused heterocyclic RXR modulators

  摘要：

  Benzofused heterocyclic analogs of the RXR selective modulator I (LG101506) were synthesized, and tested for their ability to bind RXRalpha and activate RXR homo and heterodimers. Potency and efficacy were observed to be dependent upon the choice of heterocycle as well as the sidechain employed. (C) 2004 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2004.03.073
• 作为产物：
  描述：

  4-甲硫基苯乙酮 、 溴乙酸甲酯 以 2,2,2-三氟乙醇 为溶剂， 反应 24.0h， 以99%的产率得到(4-acetyl-phenylsulfanyl)-acetic acid methyl ester
  参考文献：
  名称：

  Sulfoxide Reduction/C(sp³)–S Metathesis Cascade in Ionic Liquid

  摘要：

  A sulfoxide reduction/C-S bond metathesis cascade between sulfoxides and alkyl bromides has been developed to access high-value sulfides without the use of any catalysts or bases. In this cascade, classical Kornblum oxidation is employed to reduce sulfoxides with alkyl bromides in ionic liquid. This protocol features high functional tolerance, mild conditions, promising scalability, and sustainable solvents.

  DOI：

  10.1021/acs.orglett.0c02089

文献信息

• Fibrinogen receptor antagonists and their use
  申请人：Piramal Life Sciences Limited

  公开号：US07759387B2

  公开（公告）日：2010-07-20

  This invention relates to novel fused bicyclic compounds of the general formula (I): wherein the symbols are defined herein, to pharmaceutical compositions containing the compounds, processes for preparing the compounds, and to methods of using the compounds, alone or in combination with other therapeutic agents. The compounds are antagonists of the platelet glycoprotein IIb/IIIa fibrinogen receptor complex, and are therefore useful for the inhibition of platelet aggregation, and for the treatment of thrombotic diseases and other diseases.

  这项发明涉及一般式(I)的新型融合双环化合物： 其中符号在此定义，包括含有这些化合物的药物组合物、制备这些化合物的方法，以及使用这些化合物的方法，单独或与其他治疗剂联合使用。这些化合物是血小板糖蛋白IIb/IIIa纤维蛋白原受体复合物的拮抗剂，因此对于抑制血小板聚集以及治疗血栓性疾病和其他疾病是有用的。
• <i> <scp>L</scp> </i>‐Proline‐Promoted CuI‐Catalyzed C‐S Bond Formation between Aryl Iodides and Thiols
  作者：Hui Zhang、Weiguo Cao、Dawei Ma

  DOI：10.1080/00397910600977533

  日期：2007.1.1

  Abstract An improved, mild procedure for the CuI‐catalyzed coupling reactions of aryl iodides with aliphatic and aromatic thiols, using L ‐proline as the ligand, is reported. This procedure is noteworthy given its high generality and exceptional level of functional group toleration.

  摘要报道了一种使用 L-脯氨酸作为配体的 CuI 催化的芳基碘化物与脂肪族和芳香族硫醇的偶联反应的改进的温和程序。鉴于其高度的通用性和特殊的官能团耐受水平，该过程值得注意。
• Retinoid x receptor modulators
  申请人：——

  公开号：US20040167160A1

  公开（公告）日：2004-08-26

  The present invention is directed to compounds represented by Structural Formula (I) and pharmaceutically acceptable salts, solvates and hydrates thereof: (I). The invention is also directed to pharmaceutical compositions, methods of use and methods of making compounds represented by Structural Formula (I) and pharmaceutically acceptable salts, solvates and hydrates thereof.

  本发明涉及由结构式（I）表示的化合物及其药用可接受的盐、溶剂合物和水合物：（I）。该发明还涉及由结构式（I）表示的化合物及其药用可接受的盐、溶剂合物和水合物的药物组合物、使用方法和制备方法。
• Retinoid X receptor modulators
  申请人：Eli Lilly and Company

  公开号：US07348359B2

  公开（公告）日：2008-03-25

  The present invention is directed to compounds represented by Structural Formula (I) and pharmaceutically acceptable salts, solvates and hydrates thereof: (I). The invention is also directed to pharmaceutical compositions, methods of use and methods of making compounds represented by Structural Formula (I) and pharmaceutically acceptable salts, solvates and hydrates thereof.

  本发明涉及由结构式（I）表示的化合物及其药学上可接受的盐、溶剂和水合物：（I）。本发明还涉及由结构式（I）表示的化合物及其药学上可接受的盐、溶剂和水合物的制备方法、药物组合物和使用方法。
• FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE
  申请人：Lal Bansi

  公开号：US20100256161A1

  公开（公告）日：2010-10-07

  This invention relates to novel fused bicyclic compounds of the general formula (I): wherein the symbols are defined herein, to pharmaceutical compositions containing the compounds, processes for preparing the compounds, and to methods of using the compounds, alone or in combination with other therapeutic agents. The compounds are antagonists of the platelet glycoprotein IIb/IIIa fibrinogen receptor complex, and are therefore useful for the inhibition of platelet aggregation, and for the treatment of thrombotic diseases and other diseases.

  本发明涉及一种新型的融合双环化合物，其一般式为(I)：其中符号的定义如下，以及包含该化合物的制药组合物，制备该化合物的方法以及使用该化合物的方法，单独或与其他治疗剂联合使用。该化合物是血小板糖蛋白IIb/IIIa纤维蛋白原受体复合物的拮抗剂，因此对于抑制血小板聚集以及治疗血栓性疾病和其他疾病具有用处。