2-Thiopheneacetic acid, allyl ester | 959091-96-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: 2-Thiopheneacetic acid, allyl ester
• 英文别名: prop-2-enyl 2-thiophen-2-ylacetate
• CAS: 959091-96-4
• 化学式: C₉H₁₀O₂S
• 分子量: 182.243
• InChiKey: VGOKREPYVUZCPQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  54.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-Thiopheneacetic acid, allyl ester 在 4-乙酰氨基苯磺酰叠氮 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 乙腈 为溶剂， 反应 3.0h， 生成
  参考文献：
  名称：

  Studies on the structure–activity relationship of bicifadine analogs as monoamine transporter inhibitors

  摘要：

  Compounds with various activities and selectivities were discovered through structure -activity relationship studies of bicifadine analogs as monoamine transporter inhibitors. The norepinephrine-selective 2-thienyl compound S-6j was efficacious in a rodent pain model. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.05.077
• 作为产物：
  描述：

  2-噻吩乙酸 、 3-溴丙烯 在 CsCO3 作用下， 以 丙酮 为溶剂， 反应 10.0h， 生成 2-Thiopheneacetic acid, allyl ester
  参考文献：
  名称：

  Studies on the structure–activity relationship of bicifadine analogs as monoamine transporter inhibitors

  摘要：

  Compounds with various activities and selectivities were discovered through structure -activity relationship studies of bicifadine analogs as monoamine transporter inhibitors. The norepinephrine-selective 2-thienyl compound S-6j was efficacious in a rodent pain model. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.05.077

文献信息

• 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。
• Cobalt‐Catalyzed Decarboxylative Allylations: Development and Mechanistic Studies
  作者：Ebbin Joseph、Rafael D. Hernandez、Jon A. Tunge

  DOI：10.1002/chem.202302174

  日期：2023.10.18

  In recent years, there has been a concerted drive to develop methods that are greener and more sustainable. Being an earth‐abundant transition metal, cobalt offers an attractive substitute for commonly employed precious metal catalysts, though reactions engaging cobalt are still less developed. Herein, we report a method to achieve the decarboxylative allylation of nitrophenyl alkanes, nitroalkanes, and ketones employing cobalt. The reaction allows for the formation of various substituted allylated products in moderate‐excellent yields with a broad scope. Additionally, the synthetic potential of the methodology is demonstrated by the transformation of products into versatile heterocyclic motifs. Mechanistic studies revealed an in situ activation of the Co(II)/dppBz precatalyst by the carboxylate salt to generate a Co(I)‐species, which is presumed to be the active catalyst.

  摘要 近年来，人们一直致力于开发更环保、更可持续的方法。钴是一种富含地球的过渡金属，可替代常用的贵金属催化剂，但目前利用钴进行的反应还不太成熟。在此，我们报告了一种利用钴实现硝基苯基烷、硝基烷和酮的脱羧烯丙基化的方法。该反应可生成各种取代的烯丙基化产物，产率适中，范围广泛。此外，该方法的合成潜力还体现在将产物转化为多功能杂环基团上。机理研究表明，Co(II)/dppBz 前催化剂被羧酸盐原位活化，生成了 Co(I)-species （推测为活性催化剂）。
• Verfahren zur Herstellung von Dialkylcarbonaten
  申请人：BAYER AG

  公开号：EP0001777A1

  公开（公告）日：1979-05-16

  Die Erfindung betrifft ein Verfahren zur Herstellung von Dialkylcarbonaten durch katalytische Umsetzung von Alkylenoxiden mit Alkoholen und Kohlendioxid in Gegenwart von Katalysatoren.

  本发明涉及一种在催化剂存在下通过氧化烯与醇和二氧化碳的催化反应生产二烷基碳酸酯的工艺。
• RETINOID X RECEPTOR MODULATORS
  申请人：ELI LILLY AND COMPANY

  公开号：EP1373240A2

  公开（公告）日：2004-01-02
• JPS5412369A
  申请人：——

  公开号：JPS5412369A

  公开（公告）日：1979-01-30