pentamethylbenzenesulfonic acid | 99861-57-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: pentamethylbenzenesulfonic acid
• 英文别名: pentamethylbenzene-1-sulfonic acid；Pentamethyl-benzolsulfonsaeure；1,2,3,4,5-pentamethylbenzene-6-sulfonic acid；Pentamethylbenzolsulfosaure；2,3,4,5,6-pentamethylbenzenesulfonic acid
• CAS: 99861-57-1
• 化学式: C₁₁H₁₆O₃S
• 分子量: 228.312
• InChiKey: QJSRFGIVFRUUKG-UHFFFAOYSA-N

物化性质

• 密度：
  1.179±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 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：

  pentamethylbenzenesulfonic acid 在 硫酸 作用下， 生成 六甲基苯
  参考文献：
  名称：

  The Jacobsen Reaction. IV¹

  摘要：

  DOI：

  10.1021/ja01292a001
• 作为产物：
  描述：

  五甲基苯 在 硫酸 作用下， 以 水 为溶剂， 以100%的产率得到pentamethylbenzenesulfonic 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

文献信息

• SULFONIC ACID GROUP-CONTAINING DIAMINE COMPOUND AND METHOD FOR PRODUCING THE SAME
  申请人：Sugitani Tooru

  公开号：US20130178649A1

  公开（公告）日：2013-07-11

  The present invention provides a novel sulfonic acid group-containing diamine compound represented by formula (1) below, and a method for producing the same. This compound has a fluorene skeleton with sulfonic acid groups or derivatives thereof. In this compound, a substituent having an amino group is bonded to each of carbon atoms at the 2-position and the 7-position in the skeleton, and no substituent is bonded to a carbon atom at the 9-position in the skeleton. A in formula (1) denotes an optionally-substituted divalent aliphatic group (having a carbon number of 10 or less) or an optionally-substituted divalent aromatic group (having the number of rings of 4 or less), for example.

  本发明提供了一种新颖的含磺酸基二胺化合物，其化学式如下所示，并提供了制备该化合物的方法。该化合物具有含有磺酸基或其衍生物的芴骨架。在该化合物中，氨基取代物分别连接到骨架中的2位和7位的碳原子上，并且没有取代物连接到骨架中的9位的碳原子上。式（1）中的A表示一个可选择取代的二价脂肪基（碳原子数不超过10）或一个可选择取代的二价芳香基（环数不超过4），例如。
• COMPOSITION FOR FORMING ANTISTATIC FILM AND OLIGOMER COMPOUND
  申请人：NISSAN CHEMICAL INDUSTRIES, LTD.

  公开号：US20150008372A1

  公开（公告）日：2015-01-08

  A composition for forming an antistatic film, includes: an oligomer compound of Formula (1A): (where R 1 is a hydrogen atom or a group of Formula (2), each of R 2 and R 3 is independently a hydrogen atom, a group of Formula (3), or a group of Formula (4), at least one of the plurality of Rs is a sulfo group, a and b are positive integers satisfying 2≦(a+b)≦6; and each of a plurality of xs is independently an integer from 0 to 4): (where n is an integer satisfying 1≦n<(a+b+4); a, b, a plurality of Rs, and x are the same as those in Formula (1A); and each of a plurality of ys is independently an integer from 0 to 5); and water.

  一种用于形成抗静电膜的组合物，包括：式（1A）的寡聚物化合物： （其中R1是氢原子或式（2）的基团，每个R2和R3独立地是氢原子，式（3）的基团或式（4）的基团，多个Rs中至少一个是磺酸基团，a和b是正整数，满足2≦（a+b）≦6；每个xs都是独立的从0到4的整数）： （其中n是整数，满足1≦n <（a+b+4）; a，b，多个Rs和x与式（1A）中的相同; 每个ys都是独立的从0到5的整数）;和水。
• Amino-phthalazinone derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them
  申请人：Pulici Maurizio

  公开号：US20050020583A1

  公开（公告）日：2005-01-27

  Compounds which are amino-phthalazinone derivatives according to formula 1 and pharmaceutically acceptable salts thereof, together with pharmaceutical compositions comprising them are disclosed; these compounds or compostions are useful in the treatment of diseases caused by and/or associated with an altered protein kinase activity such as cancer, cell proliferative disorders, Alzheimer's disease, viral infections, autoimmune diseases and neurodegenerative disorders.

  公开了按照式1的氨基-菲嗪酮衍生物和其药学上可接受的盐，以及包含它们的制药组合物；这些化合物或组合物在治疗由于和/或与改变的蛋白激酶活性有关的疾病中是有用的，如癌症，细胞增殖性疾病，阿尔茨海默病，病毒感染，自身免疫性疾病和神经退行性疾病。
• Sulfonate and resist composition
  申请人：Toishi Kouji

  公开号：US20070088131A1

  公开（公告）日：2007-04-19

  The present invention provides a sulfonate of the formula (I): wherein Q 1 , Q 2 , Q 3 , Q 4 and Q 5 each independently represent hydrogen, alkyl having 1 to 16 carbon atoms, alkoxy having 1 to 16 carbon atoms, halogen, aryl having 6 to 12 carbon atoms, aralkyl having 7 to 12 carbon atoms, cyano, sulfide, hydroxy, nitro or a group of the formula (I′) —COO—X—Cy 1 (I′) wherein X represents alkylene and at least one —CH 2 — in the alkylene may be substituted by —O— or —S—, and Cy 1 represents alicyclic hydrocarbon having 3 to 20 carbon atoms, and A + represents a counter ion, with the proviso that at least one of Q 1 , Q 2 , Q 3 , Q 4 and Q 5 is the group of the formula (I′). The present invention also provides a chemical amplification type positive resist composition comprising a sulfonate of the formula (I) and resin which contains a structural unit having an acid labile group and which itself is insoluble or poorly soluble in an alkali aqueous solution but becomes soluble in an alkali aqueous solution by the action of an acid

  本发明提供了一种式为(I)的磺酸盐，其中Q1、Q2、Q3、Q4和Q5各自独立地表示氢、具有1至16个碳原子的烷基、具有1至16个碳原子的烷氧基、卤素、具有6至12个碳原子的芳基、具有7至12个碳原子的芳基烷基、氰基、硫化物、羟基、硝基或式(I') - COO - X - Cy1(I')中的基团，其中X表示烷基，烷基中至少有一个-CH2-可以被- O-或-S-取代，Cy1表示具有3至20个碳原子的脂环烃，A +表示一个计数离子，但至少有一个Q1、Q2、Q3、Q4和Q5是式(I')的基团。本发明还提供了一种化学增强型正性光刻胶组合物，包括式(I)的磺酸盐和树脂，该树脂含有一个酸敏感基团的结构单元，它本身在碱性水溶液中不溶或难溶，但在酸的作用下变得可以在碱性水溶液中溶解。
• Tetracyclic pyrazole derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them
  申请人：Vanotti Ermes

  公开号：US20060264493A1

  公开（公告）日：2006-11-23

  The present invention provides a method for treating diseases caused by and/or associated with an altered protein kinase activity which comprises administering to a mammal in need thereof an effective amount of a tetracyclic pyrazole. The invention also provides specific tetracyclic pyrazole derivatives, useful intermediates, a library comprising at least two of them, a process for their preparation and the pharmaceutical compositions containing them, which are useful in the treatment of diseases caused by and/or associated with an altered protein kinase activity such as cancer, cell proliferative disorders, viral infections, autoimmune diseases and neurodegenerative disorders.

  本发明提供了一种治疗由改变的蛋白激酶活性引起和/或相关的疾病的方法，包括向需要治疗的哺乳动物中给予有效量的四环吡唑。本发明还提供了特定的四环吡唑衍生物、有用的中间体、包含至少两个四环吡唑衍生物的库、它们的制备方法以及含有它们的药物组合物，这些组合物对于治疗由改变的蛋白激酶活性引起和/或相关的疾病，如癌症、细胞增殖性疾病、病毒感染、自身免疫性疾病和神经退行性疾病非常有用。