1,2,3,5-四甲基苯-4-磺酸 | 40355-65-5

• 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: 1,2,3,5-四甲基苯-4-磺酸
• 英文名称: 2,3,4,6-tetramethylbenzene-1-sulfonic acid
• 英文别名: 1,2,3,5-tetramethylbenzene-4-sulfonic acid；2,3,4,6-Tetramethyl-benzene-sulfonic acid；2,3,4,6-tetramethylbenzenesulfonic acid
• CAS: 40355-65-5
• 化学式: C₁₀H₁₄O₃S
• 分子量: 214.285
• InChiKey: CTQUHMJRQMWPKN-UHFFFAOYSA-N

物化性质

• 密度：
  1.208±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  62.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,2,3,5-四甲基苯-4-磺酸 在 硫酸 作用下， 以 水 为溶剂， 反应 125.0h， 以99%的产率得到2,3,4,5-tetramethylbenzene-1-sulfonic acid
  参考文献：
  名称：

  芳香异构化和相关的反应。第6部分四甲基和五甲基苯磺酸与六甲基苯在浓硫酸中的反应；雅各布森反应的机理†

  摘要：

  使用1 H和13 C NMR和UV光谱定量研究了五甲基苯（PMB）和三个四甲基苯（TeMB's）在浓硫酸水溶液中的化学行为。PMB磺酸以9/1/8的初始比例生成（质子化）六甲基苯（HMB）和2,3,4,5-和2,3,4,6-TeMB-1-磺酸底物转化率为36％；HMB与TeMB-1-磺酸的比率仍为1/1，唯一的后续反应是2,3,4,6-相对缓慢地转化为2,3,4,5-TeMB-1-磺酸是浓硫酸中唯一稳定的TeMB-1-磺酸异构体。

  DOI：

  10.1002/recl.19871060304
• 作为产物：
  描述：

  1,2,3,5-四甲基苯 在 硫酸 作用下， 生成 1,2,3,5-四甲基苯-4-磺酸
  参考文献：
  名称：

  Jacobsen, Chemische Berichte, 1882, vol. 15, p. 1854

  摘要：

  DOI：

文献信息

• NOVEL COMPOUND HAVING MULTIMER STRUCTURE OF XANTHENE DERIVATIVE, COLORING COMPOSITION, INK FOR INKJET RECORDING, METHOD OF INKJET RECORDING, COLOR FILTER, AND COLOR TONER
  申请人：FUJIFILM CORPORATION

  公开号：US20140176653A1

  公开（公告）日：2014-06-26

  There is provided a compound represented by formula (1): in formula (1), L represents a divalent to tetravalent linking group; D represents a residue obtained by removing 1 to 5 hydrogen atoms from a compound represented by formula (2); m represents an integer of 1 to 10, however, each L may be the same with or different from every other L; n represents an integer of 2 to 10, however, each D may be the same with or different from every other D; and in formula (2), each of R 4 to R 24 independently represents a hydrogen atom or a substituent, provided that formula (2) has at least one or more ionic hydrophilic groups.

  提供了一种由公式(1)表示的化合物：在公式(1)中，L代表二价到四价的连接基团；D代表通过从由公式(2)表示的化合物中去除1到5个氢原子获得的残基；m代表1到10的整数，但是，每个L可以相同也可以不同于其他L；n代表2到10的整数，但是，每个D可以相同也可以不同于其他D；在公式(2)中，R4到R24中的每一个独立地代表一个氢原子或一个取代基，前提是公式(2)至少有一个或更多的离子亲水基团。
• Studies on hypolipidemic agents. II Synthesis of 1-arenesulfonyloxy-2-alkanone derivatives as potent esterase inhibitors and hypolipidemic agents.
  作者：KAZUO OGAWA、TADAFUMI TERADA、YOSHIYUKI MURANAKA、TOSHIHIRO HAMAKAWA、SADAO HASHIMOTO、SETSURO FUJII

  DOI：10.1248/cpb.34.3252

  日期：——

  Many 2-oxoalkyl arenesulfonate derivatives having straight or branched alkyl chains of different lengths, 2-oxoalkyl bis-arenesulfonate derivatives, and alkyl arenesulfonate derivatives having a ketal moiety at the 2-position on the alkyl chain were synthesized, and their esterase-inhibitory activities, as well as hypolipidemic activities, were evaluated.Among these compounds, 1-(2, 4, 6-trimethylbenzenesulfonyloxy)-2-dodecanone (III-1u), and 1-(2, 3, 4, 6-tetramethylbenzenesulfonyloxy)-2-hexanone (III-1w), -2-octanone (III-1x) and -2-decanone (III-1y) exhibited potent esterase-inhibitory activities (IC50=3×10-10, 2×10-10, 2×10<-10> and 3×<-11>M, respectively). However, the sulfonate (XV) having a ketal moiety on the alkyl chain and the bis-sulfonate (XVI) exhibited low inhibitory activities toward esterase in comparison with III and XII. Most of the compounds III and some of the compounds XII exhibited potent hypolipidemic activities corresponding to more than 50% lipid-lowering effect (plasma triglyceride and cholesterol ester) in vivo. The structure-activity relatioinships of these compounds are discussed.

  合成了许多具有直链或支链不同长度烷基链的2-氧代烷基芳磺酸盐衍生物、2-氧代烷基双芳磺酸盐衍生物以及在烷基链的2-位具有缩酮部分的烷基芳磺酸盐衍生物，并评估了它们的酯酶抑制活性及降血脂活性。在这些化合物中，1-(2,4,6-三甲基苯磺酰氧基)-2-十二烷酮（III-1u）、1-(2,3,4,6-四甲基苯磺酰氧基)-2-己烷酮（III-1w）、-2-辛烷酮（III-1x）和-2-癸烷酮（III-1y）表现出强效的酯酶抑制活性（IC50分别为3×10-10、2×10-10、2×10-10和3×10-11M）。然而，相对于III和XII，具有烷基链上缩酮部分的磺酸盐（XV）和双磺酸盐（XVI）对酯酶的抑制活性较低。大多数化合物III和部分化合物XII表现出强效的降血脂活性，对应于体内超过50%的脂质降低效果（血浆甘油三酯和胆固醇酯）。讨论了这些化合物的构效关系。
• Studies of hypolipidemic agents. I. Syntheses and hypolipidemic activities of 1-substituted 2-alkanone derivatives.
  作者：KAZUO OGAWA、TADAFUMI TERADA、YOSHIYUKI MURANAKA、TOSHIHIRO HAMAKAWA、SADAO HASHIMOTO、SETSURO FUJII

  DOI：10.1248/cpb.34.1118

  日期：——

  Many 1-substituted 2-alkanone derivatives were synthesized and their inhibitory activities toward pancreatic lipase and esterase were examined in order to obtain hypolipidemic agents. 1-Benzenesulfonyloxy-2-pentanone (VI-2a) and 1-(2, 4, 6-trimethylbenzenesulfonyloxy)-2-pentanone (VI-2q) exhibited not only potent and selective esterase inhibitions (IC50 : 9.0×10-7M and 1.0×10-6M, respectively), but also potent hypolipidemic action (90 and 92% reductions of plasma triglyceride, and 53 and 90% reductions of plasma total cholesterol, respectively). A novel working hypothesis is presented to account for the lowering of the plasma lipids level, i.e., that inhibition of esterase and lipase activities in the small intestinal lumen may be responsible for the decrease in the plasma lipids level.

  合成了许多1-取代的2-酮烷基衍生物，并考察了它们对胰脂肪酶和酯酶的抑制活性，以期获得降脂药物。1-苯磺酰氧基-2-戊酮（VI-2a）和1-(2, 4, 6-三甲基苯磺酰氧基)-2-戊酮（VI-2q）不仅表现出显著且具有选择性的酯酶抑制（IC50：9.0×10^-7M 和 1.0×10^-6M），而且还具有强效的降脂作用（血浆甘油三脂分别减少90%和92%，血浆总胆固醇分别减少53%和90%）。提出了一个新的工作假设来解释血浆脂质水平的降低，即小肠腔内酯酶和脂肪酶活性的抑制可能是导致血浆脂质水平下降的原因。
• COLORING COMPOSITION FOR DYEING OR TEXTILE PRINTING, INK FOR INK JET TEXTILE PRINTING, METHOD OF PRINTING ON FABRIC, AND DYED OR PRINTED FABRIC
  申请人：FUJIFILM Corporation

  公开号：US20170101534A1

  公开（公告）日：2017-04-13

  Provided are a coloring composition for dyeing or textile printing including a compound having the following structure, an ink for ink jet textile printing including the above-described coloring composition for dyeing or textile printing, a method of printing on fabric, and a dyed or printed fabric. As a result, the color is excellent, the color optical density is high, the fixing properties are excellent, bleeding is reduced, and light fastness is excellent.

  提供了一种用于染色或纺织品印花的着色组合物，包括具有以下结构的化合物，一种用于喷墨纺织品印花的墨水，其中包括上述用于染色或纺织品印花的着色组合物，一种在织物上印刷的方法，以及染色或印花织物。结果，颜色优秀，颜色光密度高，固定性优秀，减少了渗色，耐光性优秀。
• AZO COMPOUND, CURABLE COMPOSITION, COLOR FILTER, AND METHOD OF PRODUCING THE SAME
  申请人：MIZUKAWA Yuki

  公开号：US20090075188A1

  公开（公告）日：2009-03-19

  This invention provides an azo compound represented by Formula (I), Formula (II), or Formula (III): wherein R 1 and R 2 each independently represent a hydrogen atom or a substituent; D 1 and D 2 each independently represent a coupler residue; Z 1 and Z 2 each independently represent —C(R 3 )═ or —N═; and R 3 represents a hydrogen atom or a substituent.

  本发明提供了一种偶氮化合物，由式（I），式（II）或式（III）表示：其中R1和R2各自独立地表示氢原子或取代基；D1和D2各自独立地表示偶联剂残基；Z1和Z2各自独立地表示—C（R3）═或—N═；R3表示氢原子或取代基。