benzoylmethanesulfonic acid | 4496-92-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: benzoylmethanesulfonic acid
• 英文别名: 2-oxo-2-phenyl-ethanesulfonic acid；2-Oxo-2-phenyl-aethansulfonsaeure；phenacylsulphonic acid；2-Oxo-2-phenylethanesulfonic acid
• CAS: 4496-92-8
• 化学式: C₈H₈O₄S
• 分子量: 200.215
• InChiKey: OESPNJQIRRMMGU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  79.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  benzoylmethanesulfonic acid 生成 (-)-2-formylamino-2-phenyl-ethanesulfonic acid
  参考文献：
  名称：

  Terent'ew et al., Zhurnal Obshchei Khimii, 1956, vol. 26, p. 2934; engl. Ausg. 26 3263

  摘要：

  DOI：
• 作为产物：
  描述：

  2-oxo-2-phenyl-ethane-1,1-disulfonic acid bis-(N-ethyl-anilide) 在 盐酸 作用下， 生成 benzoylmethanesulfonic acid
  参考文献：
  名称：

  Schroeter, Justus Liebigs Annalen der Chemie, 1919, vol. 418, p. 248

  摘要：

  DOI：

文献信息

• Scalable Approach to Fluorinated Heterocycles with Sulfur Tetrafluoride (SF₄)
  作者：Serhii Trofymchuk、Maksym Bugera、Anton A. Klipkov、Volodymyr Ahunovych、Bohdan Razhyk、Sergey Semenov、Andrii Boretskyi、Karen Tarasenko、Pavel K. Mykhailiuk

  DOI：10.1021/acs.joc.1c01518

  日期：2021.9.3

  A general approach to fluorinated (hetero)aromatic derivatives is elaborated. The key reaction is a deoxofluorination of substituted acetophenones with sulfur tetrafluoride (SF4). In contrast to previous deoxofluorination methods, this transformation is fast, scalable (up to 70 g), and high-yielding. More than 100 novel or previously hardly accessible fluorinated heterocycles, interesting for medicinal

  详细阐述了氟化（杂）芳族衍生物的一般方法。关键反应是取代苯乙酮与四氟化硫 (SF 4 )的脱氧氟化。与之前的脱氧氟化方法相比，这种转化速度快、可扩展（高达 70 g）且产量高。合成了 100 多种新颖的或以前难以获得的氟化杂环，对药物化学和农业化学很感兴趣。
• [EN] FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS<br/>[FR] ANALOGUES À CYCLES CONDENSÉS D'AGENTS ANTI-FIBROTIQUES
  申请人：FIBROTECH THERAPEUTICS PTY LTD

  公开号：WO2011047432A1

  公开（公告）日：2011-04-28

  The present invention relates to arylcarbonyl and heteroarylcarbonyl anthranilate compounds that may be useful as anti-fibrotic agents. The present invention also relates to methods for their preparation, pharmaceutical compositions containing these compounds and uses of these compounds in the treatment disorders.

  本发明涉及可能用作抗纤维化剂的芳基羰基和杂芳基羰基蒽酰胺化合物。本发明还涉及它们的制备方法、含有这些化合物的药物组合物以及这些化合物在治疗疾病中的用途。
• [EN] HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS<br/>[FR] ANALOGUES HALOGÉNÉS D'AGENTS ANTIFIBROTIQUES
  申请人：FIBROTECH THERAPEUTICS PTY LTD

  公开号：WO2009079692A1

  公开（公告）日：2009-07-02

  The present invention relates to halogenated compounds of formula (I) with the substituents as described within the specification. The compounds may be useful as anti-fibrqtic agents. The present invention also relates to methods for their preparation.

  本发明涉及具有规定的取代基的式(I)的卤代化合物。这些化合物可能作为抗纤维化剂有用。本发明还涉及它们的制备方法。
• Simple and practical one-step synthesis of new 1,3-dienic δ-sultones from terminal alkynes and some synthetic applications of these compounds
  作者：Jens Gaitzsch、Victor Rogachev、Peter Metz、Victor D. Filimonov、Martin Zahel、Olga Kataeva

  DOI：10.1080/17415993.2010.537339

  日期：2011.2.1

  1,3-Dienic δ -sultones 4,6-diaryl-[1,2]oxathiine 2,2-dioxides were synthesized via a one-step reaction of arylalkynes with dioxane sulfotrioxide. The reactivity of various alkynes in this reaction was investigated. The resulting sultones were brominated with Br2 or N-bromosuccinimide regioselectively α to sulfur and subsequently coupled with phenylacetylene using Sonogashira conditions.

  1,3-二烯 δ -磺内酯 4,6-二芳基-[1,2] oxathiine 2,2-二氧化物是通过芳基炔烃与二恶烷三氧化硫的一步反应合成的。研究了该反应中各种炔烃的反应性。所得磺内酯用 Br2 或 N-溴代琥珀酰亚胺区域选择性地溴化为硫，随后使用 Sonogashira 条件与苯乙炔偶联。
• Cubane derivatives as metabotropic glutamate receptor antagonists and process for their preparation
  申请人：Prescient NeuroPharma Inc.

  公开号：US20040147482A1

  公开（公告）日：2004-07-29

  Thee present invention relates to therapeutically active cubane compounds, a method of preparing the same, and to pharmaceutical compositions comprising the compounds. The novel compounds are useful in creating diseases of the central nervous system related to the metabotropic glutamate receptor system.

  该发明涉及治疗活性的立方烷化合物，一种制备方法，以及包含这些化合物的药物组合物。这些新型化合物可用于治疗与代谢型谷氨酸受体系统相关的中枢神经系统疾病。