间羟基苯磺酸钠

• 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: 间羟基苯磺酸钠
• 英文名称: sodium 3-hydroxybenzenesulfonate
• 英文别名: 3-hydroxybenzenesulfonic acid sodium salt；sodium 3-hydroxybenzenesulfonic acid；Sodium m-sulfophenolate；sodium;3-sulfophenolate
• 化学式: C₆H₅O₄S*Na
• 分子量: 196.159
• InChiKey: SYGMNXFMNIFZLK-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.7
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  85.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  间羟基苯磺酸钠 在 氯化亚砜 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以91%的产率得到3-羟基苯磺酰氯
  参考文献：
  名称：

  Improved 3-Hydroxythiophenol Synthesis

  摘要：

  Hydroxythiophenols have provided access to a number of unique heterocycles. Historically, access to 3-hydroxythiophenol has been challenging because of inefficiencies and prohibitive cost. A straightforward and efficient route to 3-hydroxythiphenol has been devised.

  DOI：

  10.1080/00397911.2011.611921
• 作为产物：
  描述：

  3-氨基苯磺酸 在 sodium hydroxide 、 硫酸 、 sodium nitrite 、 水 作用下， 以 水 为溶剂， 以61%的产率得到间羟基苯磺酸钠
  参考文献：
  名称：

  Effect of Substituent in Diazotized Orthanilic Acid on the Azo Coupling with 7-Acetylamino-4-hydroxynaphthalene-2-sulfonic Acid in Citrate-Phosphate Buffers

  摘要：

  Effect of substituent in the para position with respect to the diazo group in diazotized orthanilic acid derivatives on the rate and selectivity of azo coupling with 7-acetylamino-4-hydroxynaphthalene-2-sulfonic acid was studied in citrate-phosphate buffers. The selectivity of azo coupling at the 3-position of the azo component almost does not depend on the nature of electron-donor substituent. Electron-acceptor groups considerably reduce the selectivity of formation of the 3-isomer. Previous conclusions, according to which the rate-determining stages are different depending on the site of azo coupling of diazotized orthanilic acid with 7-acetylamino-4-hydroxynaphthalene-2-sulfonic acid, were found to be also valid for some 5-substituted orthanilic acid derivatives. The rate-determining stage in the azo coupling at the 3-position can change upon introduction of strong electron-acceptor substituents capable of interacting with the diazo group. The contribution of the multicenter mechanism of deprotonation of the sigma-complex with participation of water molecules was presumed to increase in going to the diazo components having electron-donor substituents.

  DOI：

  10.1023/b:rugc.0000007618.08375.43

文献信息

• Biphenylsulfonamide Endothelin Antagonists:  Structure−Activity Relationships of a Series of Mono- and Disubstituted Analogues and Pharmacology of the Orally Active Endothelin Antagonist 2‘-Amino-<i>N</i>- (3,4-dimethyl-5-isoxazolyl)-4‘-(2-methylpropyl)[1,1‘-biphenyl]-2-sulfonamide (BMS-187308)
  作者：Natesan Murugesan、Zhengxiang Gu、Philip D. Stein、Sharon Bisaha、Steve Spergel、Ravi Girotra、Ving G. Lee、John Lloyd、Raj N. Misra、Joan Schmidt、Arvind Mathur、Leslie Stratton、Yolanda F. Kelly、Eileen Bird、Tom Waldron、Eddie C.-K. Liu、Rongan Zhang、Helen Lee、Randy Serafino、Benoni Abboa-Offei、Parker Mathers、Mary Giancarli、Andrea Ann Seymour、Maria L. Webb、Suzanne Moreland、Joel C. Barrish、John T. Hunt

  DOI：10.1021/jm970872k

  日期：1998.12.1

  Substitution at the ortho position of N-(3,4-dimethyl-5-isoxazolyl) benzenesulfonamide led to the identification of the biphenylsulfonamides as a novel series of endothelin-A (ETA) selective antagonists. Appropriate substitutions on the pendant phenyl ring led to improved binding as well as functional activity. A hydrophobic group such as isobutyl or isopropoxyl was found to be optimal at the 4'-position

  N-（3,4-二甲基-5-异恶唑基）苯磺酰胺在邻位的取代导致将联苯磺酰胺鉴定为新型的内皮素-A（ETA）选择拮抗剂。苯环侧基上的适当取代导致改进的结合以及功能活性。发现疏水基团例如异丁基或异丙氧基在4'-位是最佳的。在2'-位引入氨基也导致改进的类似物。最佳的4'-异丁基取代基与2'-氨基官能团的结合提供了具有改善的ETA结合亲和力和功能活性的类似物（20，BMS-187308）。化合物20在抑制大鼠ET-1输注引起的升压作用方面也具有良好的口服活性。
• Synthesis and insecticidal activity in vitro and vivo of novel benzenesulfonyl derivatives based on potent target subunit H of V-ATPase
  作者：Chaofu Yang、Xiaoting Li、Jielu Wei、Feng Zhu、Fangli Gang、Shaopeng Wei、Yunlong Zhao、Jiwen Zhang、Wenjun Wu

  DOI：10.1016/j.bmcl.2018.08.030

  日期：2018.10

  virtual screening based on the 3D structure of the subunit H of V-ATPase in previous study. 74 benzenesulfonyl derivatives were synthesized and their insecticidal activities were evaluated. The derivatives with propargyl substituents exhibit excellent insecticidal activities against Mythimna separata Walker. The LD50 values of compounds A5.7 (28.0 μg·g−1) and B5.7 (36.4 μg·g−1) were significantly less than

  在先前的研究中，基于V-ATPase H亚基H的3D结构，通过虚拟筛选发现了两种含苯磺酰胺的先导化合物。合成了74个苯磺酰基衍生物，并对其杀虫活性进行了评价。具有炔丙基取代基的衍生物对Mythimna separata Walker表现出优异的杀虫活性。的LD 50个的化合物的值A5.7（28.0微克·克-1）和B5.7（36.4微克·克-1）均高于苦皮藤素Ⅴ的显著以下（344.0微克·克-1）。此外，等温滴定热量法（ITC）数据表明A5.7之间存在很强的结合亲和力 这些结果表明，这是开发针对V-ATPase H亚基的农药的实用方法。
• POLYTHIOPHENE, WATER-SOLUBLE ELECTRICALLY CONDUCTIVE POLYMER USING IT, AND METHOD FOR PRODUCING IT
  申请人：TOSOH CORPORATION

  公开号：US20150337061A1

  公开（公告）日：2015-11-26

  To provide a water-soluble polythiophene used as an electrically conductive material, and its production method. A polythiophene comprising at least one type of structural units selected from the group consisting of structural units represented by the formula (1), structural units represented by the formula (2), structural units represented by the formula (3), structural units represented by the formula (4), structural units represented by the formula (5) and structural units represented by the formula (6). The polythiophene is obtained by polymerizing at least one thiophene compound selected from the group consisting of a thiophene compound represented by the formula (15), a thiophene compound represented by the formula (16) and a thiophene compound represented by the formula (17) in water or an alcohol solvent in the presence of an oxidizing agent.

  提供一种水溶性聚噻吩，用作导电材料，及其生产方法。所述聚噻吩包含至少一种由公式（1）所表示的结构单元、由公式（2）所表示的结构单元、由公式（3）所表示的结构单元、由公式（4）所表示的结构单元、由公式（5）所表示的结构单元和由公式（6）所表示的结构单元中选取的结构单元类型。所述聚噻吩是在氧化剂存在下，在水或醇溶剂中聚合由公式（15）所表示的噻吩化合物、由公式（16）所表示的噻吩化合物和由公式（17）所表示的噻吩化合物中选取的至少一种噻吩化合物聚合而得。
• Process for the preparation of polyester, and its composition
  申请人：POLYPLASTICS CO. LTD.

  公开号：EP0517511A2

  公开（公告）日：1992-12-09

  The present invention provides a process for the preparation of a polyester which has a high rate of crystallisation and is excellent not only in the processability in moulding but also in heat resistance and mechanical strengths. In the preparation of an aromatic polyester by the reaction of a lower alkyl ester of an aromatic dicarboxylic acid with an aliphatic diol, the transesterification of the lower alkyl ester with the diol is conducted in the presence of 0.02 to 5.0 mole %, based on the lower alkyl ester of an aromatic dicarboxylic acid, of an aromatic sulfonic acid compound represented by the following general formula (I) by the use of a titanium compound as a catalyst, followed by the polycondensation of the transesterification product:         HO-R-O-Ar-SO₃M   (I)    wherein -Ar- is a group selected between p-substituted benzene and 2,6-substituted naphthalene groups;    R is a divalent group selected from among -CH₂CH₂-, -CH(CH₃)CH₂-, -CH₂CH(CH₃)- and -CH₂CH₂OCH₂CH₂-;    and M is an alkali metal selected from among lithium, sodium and potassium. An excellent composition comprising this polyester and other aromatic polyester can be obtained.

  本发明提供了一种制备聚酯的工艺，这种聚酯具有很高的结晶率，不仅在模塑加工性方面，而且在耐热性和机械强度方面都非常出色。 在通过芳香族二羧酸的低级烷基酯与脂肪族二元醇反应制备芳香族聚酯时，以芳香族二羧酸的低级烷基酯为基准，在 0.02 至 5.0 摩尔%的芳香族磺酸化合物存在下，使用钛化合物作为催化剂，进行低级烷基酯与二元醇的酯交换反应，然后对酯交换反应产物进行缩聚反应： HO-R-O-Ar-SO₃M (I) 其中 -Ar- 是选自对取代苯和 2,6-取代萘的基团； R 是选自 -CH₂CH₂-、-CH(CH₃)CH₂-、-CH₂CH(CH₃)- 和 -CH₂CH₂OCH₂CH₂- 的二价基团； 和 M 是选自锂、钠和钾的碱金属。 由这种聚酯和其他芳香族聚酯组成的组合物效果极佳。
• [EN] METHOD AND COMPOSITIONS FOR TREATING HIV INFECTIONS<br/>[FR] PROCÉDÉ ET COMPOSITIONS UTILISÉS POUR TRAITER LES INFECTIONS À VIH
  申请人：PURDUE RESEARCH FOUNDATION

  公开号：WO2008133734A4

  公开（公告）日：2009-02-12