benzol-1,2-dikalium-disulfonate | 5710-54-3

• 物质功能分类: 化学试剂 - 有机试剂 - 磺酸盐/亚磺酸盐
• 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: benzol-1,2-dikalium-disulfonate
• 英文别名: dipotassium o-benzenedisulfonate；o-Benzenedisulfonic acid dipotassium salt；potassium o-benzenedisulfonate；potassium benzene-1,2-disulfonate；1,2-benzenedisulfonic acid dipotassium salt；o-benzenedisulfonic acid, potassium salt；dipotassium 1,2-benzenedisulphonate；Potassium;benzene-1,2-disulfonate
• CAS: 5710-54-3
• 化学式: C₆H₄O₆S₂*2K
• 分子量: 314.423
• InChiKey: AERGXRWZKMSZFM-UHFFFAOYSA-L

物化性质

• 熔点：
  ≥300 °C (lit.)

计算性质

• 辛醇/水分配系数(LogP)：
  -3.5
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  131
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S22,S24/25
• 危险类别码：
  R20/21/22,R36/37/38
• WGK Germany：
  3

反应信息

• 作为反应物：
  描述：

  benzol-1,2-dikalium-disulfonate 在 五氯化磷 作用下， 以99.7%的产率得到1,2-苯二磺酰二氯
  参考文献：
  名称：

  Selective, Electrophilic Fluorinations Using N-Fluoro-o-benzenedisulfonimide

  摘要：

  The synthesis of N-fluoro-o-benzenedisulfonimide (NFOBS, 2) and its use as an ''electrophilic'' fluorinating reagent with nucleophilic substrates is described and compared with that of N-fluorobenzenesulfonimide (NFSi, 3). NFOBS (2) is prepared in three steps in 81% overall yield from commercially available o-benzenedisulfonic acid (4) and involves treatment of o-benzenedisulfonimide (6) with dilute fluorine (10% F-2/N-2). Reaction of 2 with metal enolates, silyl enol ethers, and 1,3-dicarbonyl compounds affords the corresponding alpha-fluoro compounds in yields up to 95%, with good control of mono- and difluorination. Fluorination of ortho-metalated aromatic compounds was achieved in modest to good yields (10-80%). While the reactivities of 2 and 3 are similar, better yields were observed with the former reagent in the fluorination of metal enolates, Grignard and lithium reagents, while 3 gave better results with the ortho-lithiated aromatic substrates. The available evidence suggests an S(N)2-type mechanism for the fluorination of nucleophilic substrates by these reagents.

  DOI：

  10.1021/jo00120a014
• 作为产物：
  描述：

  2-sulfobenzenediazonium chloride 在 copper(l) chloride 二氧化硫 作用下， 以 盐酸 、 溶剂黄146 为溶剂， 反应 3.0h， 以60%的产率得到benzol-1,2-dikalium-disulfonate
  参考文献：
  名称：

  Horner, Leopold; Schmitt, Rolf-Elhard, Phosphorus and Sulfur and the Related Elements, 1982, vol. 13, p. 169 - 178

  摘要：

  DOI：

文献信息

• Aminoguanidines and alkoxyguanidines as protease inhibitors
  申请人：3-Dimensional Pharmaceuticals, Inc.

  公开号：US06235778B1

  公开（公告）日：2001-05-22

  Aminoguanidine and alkoxyguanidine compounds, including compounds of the formula: wherein X is O or NR9 and R114 R4, R6-R9, R11, R12, Ra, Rb, Rc, Y, Z, n and mare set forth in the specification, as well as hydrates, solvates or pharmaceutically acceptable salts thereof, that inhibit proteolytic enzymes such as thrombin are described. Also described are methods for preparing the compounds of Formula I. The novel compounds of the present invention are potent inhibitors of proteases, especially trypsin-like serine proteases, such as chymotrypsin, trypsin, thrombin, plasmin and factor Xa. Certain of the compounds exhibit antithrombotic activity via direct, selective inhibition of thrombin, or are intermediates useful for forming compounds having antithrombotic activity. The invention includes a composition for inhibiting loss of blood platelets, inhibiting formation of blood platelet aggregates, inhibiting formation of fibrin, inhibiting thrombus formation, and inhibiting embolus formation in a mammal, comprising a compound of the invention in a pharmaceutically acceptable carrier. Other uses of compounds of the invention are as anticoagulants either embedded in or physically linked to materials used in the manufacture of devices used in blood collection, blood circulation, and blood storage, such as catheters, blood dialysis machines, blood collection syringes and tubes, blood lines and stents.

  氨基胍和烷氧基胍化合物，包括以下式的化合物： 其中X为O或NR9，R1、R4、R6-R9、R11、R12、Ra、Rb、Rc、Y、Z、n和m如规范中所述，以及其水合物、溶剂合物或药用可接受的盐，能够抑制蛋白酶酶，如凝血酶。还描述了制备上述式的化合物的方法。本发明的新化合物是蛋白酶的有效抑制剂，特别是类似胰蛋白酶的丝氨酸蛋白酶，如胰蛋白酶、凝血酶、纤溶酶和Xa因子。其中某些化合物通过直接、选择性地抑制凝血酶表现出抗血栓活性，或者是用于形成具有抗血栓活性的化合物的中间体。该发明包括一种用于在哺乳动物中抑制血小板丢失、抑制血小板聚集物形成、抑制纤维蛋白形成、抑制血栓形成和抑制栓塞形成的组合物，包括一种本发明的化合物在药学上可接受的载体中。本发明的化合物的其他用途是作为抗凝剂，嵌入或物理连接到用于制造用于血液采集、血液循环和血液储存的器械中的材料中，如导管、血液透析机、血液采集注射器和管道、血管内支架。
• New Electrophilic Difluoromethylating Reagent
  作者：G. K. Surya Prakash、Csaba Weber、Sujith Chacko、George A. Olah

  DOI：10.1021/ol070195g

  日期：2007.5.1

  A new electrophilic difluoromethylating reagent has been developed. The S-(difluoromethyl)diarylsulfonium tetrafluoroborate has been shown to be effective for the introduction of an electrophilic difluoromethyl group into the following nucleophiles: sulfonic acids, tertiary amines, imidazole derivatives, and phosphines. The reagent failed to transfer the difluoromethyl group to phenols, carbon nucleophiles

  已经开发出一种新的亲电子二氟甲基化试剂。已经显示出S-（二氟甲基）二芳基四氟硼酸be可有效地将亲电子二氟甲基引入以下亲核试剂中：磺酸，叔胺，咪唑衍生物和膦。该试剂未能将二氟甲基转移​​至苯酚，碳亲核试剂以及伯胺和仲胺。
• 2D and 3D Coordination Networks of Polynuclear Bismuth Oxido/Hydroxido Sulfonato Clusters from Low Temperature Solid‐State Metathesis Reactions
  作者：Dimuthu C. Senevirathna、Melissa V. Werrett、Victoria L. Blair、Michael Mehring、Philip C. Andrews

  DOI：10.1002/chem.201705981

  日期：2018.5.7

  Solid‐state metathesis (SSM) reactions between Bi(NO3)3⋅5 H2O and potassium benzene‐1,2‐disulfonate (=1,2‐BDSK2), sodium benzene‐1,3‐disulfonate (=1,3‐BDSNa2) allows access to the first 2D, [Bi6O4(OH)4(1–2BDS)2(NO3)2⋅4 H2O]⋅11 H2O}∞ and [Bi22O24(OH)6(1,3‐BDS)6⋅12 DMSO]⋅3 DMSO⋅4 H2O}∞, and 3D, [Bi6O4(OH)4(1,3‐BDS)3⋅4 H2O]⋅6 H2O}∞, polymeric networks of sulfonato encapsulated polynuclear bismuth oxido/hydroxido

  固态复分解（SSM）铋之间的反应（NO 3）3 ⋅5ħ 2 O和钾苯-1,2-二磺酸（= 1,2-BDS ķ 2），钠苯-1,3-二磺酸（= 1,3- BDS的Na 2）允许访问第一2D，[毕6 ø 4（OH）4（1-2BDS）2（NO 3）2 ⋅4ħ 2 O]⋅11ħ 2 ö} ∞和[毕22 ø 24（OH）6（1,3- BDS）6 ⋅12DMSO]⋅3DMSO⋅4ħ 2 ö} ∞，和3D，[毕6 ø 4（OH）4（1,3-BDS）3 ⋅4ħ 2 O]⋅6ħ 2 ö} ∞，磺酸根包封多核铋氧桥/ hydroxido簇的聚合物网络。
• Temperature Dependence of Hydrophobic Ion Association of Tris(1,10-phenanthroline)iron(II) Ion with Arenedisulfonate Ions in Water
  作者：Haruhiko Yokoyama、Yuko Koyama、Yuichi Masuda

  DOI：10.1246/cl.1988.1453

  日期：1988.8.5

  7-naphthalenedisulfonate ions, determined by conductivity measurements at 0-50 °C, were considerably larger than the electrostatic prediction: K(25°C)=99±3, 204±5, 1021±29, and 792±6 dm3mol−1, respectively. Their hydrophobic behavior was apparently similar to that of alkanesulfonate ions. However, the significant enthalpy contribution was found to the hydrophobic ion association.

  [Fe(phen)3]2+ 与邻苯二磺酸盐、2,6- 和 2,7-萘二磺酸盐离子的离子缔合常数 (K) 是通过 0-50 °C 下的电导率测量确定的远大于静电预测：K(25°C)=99±3、204±5、1021±29 和 792±6 dm3mol-1。它们的疏水行为显然类似于烷磺酸根离子的疏水行为。然而，发现显着的焓贡献对疏水性离子缔合。
• Selective, Electrophilic Fluorinations Using N-Fluoro-o-benzenedisulfonimide
  作者：Franklin A. Davis、Wei Han、Christopher K. Murphy

  DOI：10.1021/jo00120a014

  日期：1995.7

  The synthesis of N-fluoro-o-benzenedisulfonimide (NFOBS, 2) and its use as an ''electrophilic'' fluorinating reagent with nucleophilic substrates is described and compared with that of N-fluorobenzenesulfonimide (NFSi, 3). NFOBS (2) is prepared in three steps in 81% overall yield from commercially available o-benzenedisulfonic acid (4) and involves treatment of o-benzenedisulfonimide (6) with dilute fluorine (10% F-2/N-2). Reaction of 2 with metal enolates, silyl enol ethers, and 1,3-dicarbonyl compounds affords the corresponding alpha-fluoro compounds in yields up to 95%, with good control of mono- and difluorination. Fluorination of ortho-metalated aromatic compounds was achieved in modest to good yields (10-80%). While the reactivities of 2 and 3 are similar, better yields were observed with the former reagent in the fluorination of metal enolates, Grignard and lithium reagents, while 3 gave better results with the ortho-lithiated aromatic substrates. The available evidence suggests an S(N)2-type mechanism for the fluorination of nucleophilic substrates by these reagents.