3,5-二甲基苯磺酸 | 18023-22-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3,5-二甲基苯磺酸
• 英文名称: 3,5-Dimethyl-benzolsulfonsaeure
• 英文别名: 3,5-dimethylbenzenesulfonic Acid
• CAS: 18023-22-8
• 化学式: C₈H₁₀O₃S
• 分子量: 186.232
• InChiKey: QFVYAQIVJUCNSJ-UHFFFAOYSA-N

物化性质

• 密度：
  1.286±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  62.8
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2904100000

反应信息

• 作为反应物：
  描述：

  3,5-二甲基苯磺酸 在 6% Pd/C 、 碘 、 三苯基膦 、 异丙醇 作用下， 反应 10.0h， 以80%的产率得到3,5-二甲基苯硫酚
  参考文献：
  名称：

  Catalytic transfer hydrogenation of aryl sulfo compounds

  摘要：

  A new method to reduce aryl sulfo compounds via transfer hydrogenation was investigated, using Pd/C as a catalyst, and 2-propanol or formic acid as hydrogen sources. This new process is simple and clean.[GRAPHICS].

  DOI：

  10.1080/17415993.2012.654392
• 作为产物：
  描述：

  3,5-dimethyl-benzenesulfinic acid 在 potassium permanganate 作用下， 生成 3,5-二甲基苯磺酸
  参考文献：
  名称：

  Moschner, Chemische Berichte, 1901, vol. 34, p. 1259

  摘要：

  DOI：

文献信息

• Sustainable access to sulfonic acids from halides and thiourea dioxide with air
  作者：Hui Zhang、Ming Wang、Xuefeng Jiang

  DOI：10.1039/d0gc03135f

  日期：——

  the synthesis of aryl and alkyl sulfonic acids using a facile combination of halides and sulfur dioxide surrogates under air. The cheap industrial material thiourea dioxide was employed as an eco-friendly and easy-handling sulfur dioxide surrogate, while air was used as a green oxidant. Both aryl and alkyl sulfonic acids were obtained under transition metal-catalyzed or transition metal-free conditions

  探索了一种可持续且温和的一步法，在空气中使用卤化物和二氧化硫代用品的简便组合来合成芳基和烷基磺酸。廉价的工业原料二氧化硫脲被用作一种生态友好，易于处理的二氧化硫替代物，而空气则被用作绿色氧化剂。芳基和烷基磺酸都在过渡金属催化或无过渡金属的条件下获得。机理研究表明，亚硫酸盐作为该转化的中间体。值得注意的是，该方案已被应用于萘普生，异氧平和布洛芬的后期磺化。
• PROCESS FOR PRODUCING AMINOALKYLSULFONIC ACID AND METHOD OF SALT EXCHANGE FOR SALT THEREOF
  申请人：Wako Pure Chemical Industries, Ltd.

  公开号：EP1548002A1

  公开（公告）日：2005-06-29

  The present invention relates to a method for efficiently producing an aminoalkylsulfonic acid in an industrial scale, and provides    "a process for producing an aminoalkylsulfonic acid represented by the general formula [2]:    wherein R1 and R2 are each independently a hydrogen atom, an alkyl group, an aryl group or an aralkyl group; and R3 and R4 are each independently a hydrogen atom or an alkyl group, comprising reacting an aminoalkylsulfonate salt represented by the general formula [1]:    wherein M is an alkali metal atom, an organic ammonium ion or an ammonium ion; and R1 to R4 are the same as described above,    an aqueous solution thereof, or a solution dissolving any one of them in a water-soluble organic solvent, selected from alcohols having 1 to 3 carbon atoms, carboxylic acids having 2 to 12 carbon atoms and dimethylformamide, with an organic acid; and    a method of salt exchange for an aminoalkylsulfonate salt represented by the general formula [1']:    wherein M' is an alkali metal atom, an organic ammonium ion or an ammonium ion; and R1 and R4 are the same as described above, comprising reacting an aminoalkylsulfonate salt represented by the above general formula [2] with a hydroxide represented by the general formula [6]:         M'OH     [6]    wherein M' is the same as described above, in an alcohol or water".

  本发明涉及一种在工业规模上高效生产氨基磺酸的方法，并提供“一种生产由通式[2]表示的氨基磺酸的方法：其中R1和R2分别是氢原子、烷基、芳基或芳基烷基；R3和R4分别是氢原子或烷基的氨基磺酸盐发生反应所得的方法，通式[1]表示如下：其中M是碱金属原子、有机铵离子或铵离子；R1至R4与上述相同，其水溶液或将任何一种溶解于水溶性有机溶剂中的溶液，所选的有1至3个碳原子的醇、有2至12个碳原子的羧酸和二甲基甲酰胺，与有机酸反应；以及氨基磺酸盐交换的方法，通式[1']表示如下：其中M'是碱金属原子、有机铵离子或铵离子；R1和R4与上述相同，包括将上述通式[2]表示的氨基磺酸盐与通式[6]表示的氢氧化物发生反应：M'OH [6]其中M'与上述相同，在醇或水中”。
• [EN] ACID ADDED SALTS OF AMLODIPINE<br/>[FR] SELS D'ADDITION ACIDE D'AMLODIPINE
  申请人：SK CHEMICALS CO LTD

  公开号：WO2005042485A1

  公开（公告）日：2005-05-12

  The present invention relates to crystalline acid salts of amlodipine which exhibit excellent physicochemical properties such as high aqueous solubility, stability, non-hygroscopicity and anti-stiction property, thereby providing an effective therapeutic agent in the treatment of cardiovascular diseases including hypertension.

  本发明涉及氨氯地平的结晶酸盐，具有优异的理化性质，如高水溶性、稳定性、不吸湿性和抗粘附性，从而提供一种有效的治疗剂，用于治疗包括高血压在内的心血管疾病。
• POLYMERIZATION CATALYSTS FOR PRODUCING POLYMERS WITH HIGH COMONOMER INCORPORATION
  申请人：Yang Qing

  公开号：US20110201833A1

  公开（公告）日：2011-08-18

  The present techniques relate to catalyst compositions, methods, and polymers encompassing a Group 4 metallocene compound comprising bridged η 5 -cyclopentadienyl-type ligands, typically in combination with a cocatalyst, and an activator. The bridged η 5 -cyclopentadienyl-type ligands are connected by a cyclic substituent.

  这些技术涉及催化剂组合物、方法和聚合物，其中包括一种含有桥联的η5-环戊二烯基型配体的第4族过渡金属烯化合物，通常与协同催化剂和活化剂结合使用。桥联的η5-环戊二烯基型配体通过一个环状取代基连接。
• POLYMERIZATION CATALYSTS FOR PRODUCING POLYMERS WITH LOW MELT ELASTICITY
  申请人：CHEVRON PHILLIPS CHEMICAL COMPANY LP

  公开号：US20130245302A1

  公开（公告）日：2013-09-19

  The present techniques relate to catalyst compositions, methods, and polymers encompassing a Group 4 metallocene compound comprising bridging η 5 -cyclopentadienyl-type ligands, typically in combination with a cocatalyst, and a activator. The compositions and methods presented herein include ethylene polymers with low melt elasticity.

  这些技术涉及催化剂组成、方法和聚合物，其中包括一种包含桥联的η5-环戊二烯基型配体的第4族过渡金属烯化合物，通常与协同催化剂和活化剂结合使用。本文介绍的组成物和方法包括具有低熔融弹性的乙烯聚合物。