2-amino-3,4-dimethylbenzenesulfonic acid | 80867-75-0

• 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: 2-amino-3,4-dimethylbenzenesulfonic acid
• 英文别名: Ammoniumxylolsulfonat；2-azaniumyl-3,4-dimethylbenzenesulfonate
• CAS: 80867-75-0
• 化学式: C₈H₁₁NO₃S
• 分子量: 201.246
• InChiKey: ZAKYBQTZZHWXOB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  13
• 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：
  88.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3,4-dimethyl-2-nitro-benzenesulfonic acid 在 iron(II) sulfate 作用下， 生成 2-amino-3,4-dimethylbenzenesulfonic acid
  参考文献：
  名称：

  Simonsen, Journal of the Chemical Society, 1913, vol. 103, p. 1147,1152

  摘要：

  DOI：

文献信息

• An Aminative Rearrangement of <i>O</i> ‐(Arenesulfonyl)hydroxylamines: Facile Access to <i>ortho</i> ‐Sulfonyl Anilines
  作者：Charlotte Morrill、James E. Gillespie、Robert J. Phipps

  DOI：10.1002/anie.202204025

  日期：2022.8.15

  An aromatic rearrangement of hydroxylamine derivatives that leads directly to ortho-sulfonyl anilines from simple starting materials is reported. This is achieved through formation of a new C−N bond with excellent levels of regiocontrol for the ortho isomer(s), which is proposed to be the result of attractive non-covalent interactions occurring during the C−N bond-forming step.

  据报道，羟胺衍生物的芳族重排可从简单的起始原料直接生成邻磺酰基苯胺。这是通过形成新的 CN 键来实现的，该键对邻位异构体具有出色的区域控制水平，这被认为是在 CN 键形成步骤中发生有吸引力的非共价相互作用的结果。
• POLYISOCYANATE COMPOSITION, COATING COMPOSITION AND COATING SUBSTRATE
  申请人：Asahi Kasei Kabushiki Kaisha

  公开号：EP3778686A1

  公开（公告）日：2021-02-17

  A polyisocyanate composition includes a polyisocyanate containing a sulfonic acid anion group in a molecule, a tertiary ammonium cation of an amine compound, and a uretdione dimer and isocyanurate trimer of a diisocyanate monomer, wherein the tertiary ammonium cation of the amine compound includes a tertiary ammonium cation of one or more amine compounds represented by general formula (1), a content of the uretdione dimer is 2.0% by mass or more and 20.0% by mass or less with respect to a total mass of the composition, and a content of a uretdione dimer containing a sulfonic acid anion group in a molecule is 0.15% by mass or less with respect to a total mass of the polyisocyanate containing a sulfonic acid anion group in a molecule, the uretdione dimer and the isocyanurate trimer.

  一种多异氰酸酯组合物包括分子中含有磺酸阴离子基团的多异氰酸酯、胺化合物的叔铵盐阳离子以及二异氰酸酯单体的脲二酮二聚体和异氰尿酸酯三聚体、 其中胺化合物的叔铵阳离子包括通式(1)代表的一种或多种胺化合物的叔铵阳离子、 脲二酮二聚体的含量占组合物总质量的 2.0%（以质量计）或以上，20.0%（以质量计）或以下，以及 相对于分子中含有磺酸阴离子基团的多异氰酸酯、脲二酮二聚体和异氰尿酸酯三聚体的总质量而言，分子中含有磺酸阴离子基团的脲二酮二聚体的含量为 0.15%（以质量计）或更少。
• POLYISOCYANATE COMPOSITION, COATING COMPOSITION AND COATING BASE MATERIAL
  申请人：Asahi Kasei Kabushiki Kaisha

  公开号：EP3878838A1

  公开（公告）日：2021-09-15

  The present invention provides a polyisocyanate composition comprising a polyisocyanate having a sulfonic acid anion group in its molecule and a tertiary ammonium cation of an amine compound, wherein the tertiary ammonium cation of an amine compound includes a tertiary ammonium cation of at least one amine compound selected from amine compounds represented by the following general formulas (1) and (2), and an amount of the tertiary ammonium cation of the selected amine compound is 70 mol% or more with respect to a total molar amount of the tertiary ammonium cation of all amine compounds in the composition.

  本发明提供了一种多异氰酸酯组合物，该组合物包含在其分子中具有磺酸阴离子基团的多异氰酸酯和胺化合物的叔铵阳离子，其中胺化合物的叔铵阳离子包括至少一种选自以下通式(1)和(2)所代表的胺化合物的叔铵阳离子、所选胺化合物的叔铵阳离子的量占组合物中所有胺化合物的叔铵阳离子总摩尔量的 70 摩尔%或以上。
• Simonsen, Journal of the Chemical Society, 1913, vol. 103, p. 1147,1152
  作者：Simonsen

  DOI：——

  日期：——
• Kanetani, Fujio; Yamaguchi, Hachiro, Bulletin of the Chemical Society of Japan, 1981, vol. 54, # l0, p. 3048 - 3058
  作者：Kanetani, Fujio、Yamaguchi, Hachiro

  DOI：——

  日期：——