4,4'-二硫代二-苯磺酰氯 | 27738-91-6

• 物质功能分类: 化学试剂 - 有机试剂 - 酰卤
• 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: 4,4'-二硫代二-苯磺酰氯
• 英文名称: 4,4'-disulfanediyldibenzenesulfonyl chloride
• 英文别名: 4,4'-disulfanediyl-bis-benzenesulfonyl chloride；4,4'-Disulfandiyl-bis-benzolsulfonylchlorid；Diphenyldisulfid-disulfonsaeure-(4.4')-dichlorid；4,4'-dithiobisbenzenesulfonyl chloride；bis(4-chlorosulfonylphenyl)disulfide；4-[(4-chlorosulfonylphenyl)disulfanyl]benzenesulfonyl chloride
• CAS: 27738-91-6
• 化学式: C₁₂H₈Cl₂O₄S₄
• 分子量: 415.363
• InChiKey: VUKZJNCBRXLCAA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  136
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 海关编码：
  2930909090

反应信息

• 作为反应物：
  描述：

  4,4'-二硫代二-苯磺酰氯 在 ammonium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 以94%的产率得到4,4′-disulfanediyldibenzenesulfonamide
  参考文献：
  名称：

  具有亚纳摩尔碳酸酐酶II和IX抑制特性的带有磺酰胺的不同硫骨架的合成及其抑制机理的X射线研究

  摘要：

  设计，合成和合成了几种具有不同硫代骨架的新分子，并对它们进行了碳酸酐酶（CAIs）抑制剂的生物学评估。结构-活性关系分析确定了硫醚衍生物（本文报道）是针对hCA II和hCA IX的有效和选择性的CAI。抑制剂结合的hCA II的高分辨率X射线结构揭示了与活性位点疏水口袋的广泛相互作用，并提供了对这些新抑制剂结合特性的分子洞察力。

  DOI：

  10.1016/j.bioorg.2018.09.028
• 作为产物：
  描述：

  对氨基苯磺酸 在 盐酸 、 五氯化磷 、 sodium carbonate 、 sodium nitrite 、 三氯氧磷 作用下， 以 水 为溶剂， 生成 4,4'-二硫代二-苯磺酰氯
  参考文献：
  名称：

  Synthesis of water-soluble aminosulfonamide ligands and their application in enantioselective transfer hydrogenation

  摘要：

  Water-soluble analogues of Noyori's (1S,2S)-N-(p-tolylsulfonyl)-1,2-diphenylethylenediamine and Knochel's (1R,2R)-N-(p-tolylsulfonyl)-1,2-diaminocyclohexane, containing an additional sulfonic acid group, have been synthesised. The ruthenium catalysed reduction of aromatic ketones using enantiomerically pure catalyst derived from water soluble ligands and [RuCl2(p-cymene)](2) has been examined. High enantioselectivity and moderate activity were observed in the 2-propanol/base system. The addition of water is necessary to stabilise the catalyst. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)00623-2

文献信息

• Transfer hydrogenation process and catalyst
  申请人：——

  公开号：US20040102313A1

  公开（公告）日：2004-05-27

  A catalytic transfer hydrogenation process is provided. The catalyst employed in the process is a metal hydrocarbyl complex which is coordinated to defined bidentate ligands substituted with at least one group selected from an optionally substituted sulphonated hydrocarbyl group, a sulphonated perhalogenated hydrocarbyl group, or an optionally substituted sulphonated heterocyclyl group. Preferred metals include rhodium, ruthenium and iridium. Preferred bidentate ligands are diamines and aminoalcohols, particularly those comprising chiral centres. The hydrogen donor is advantageously a secondary alcohol or a mixture of triethylamine and formic acid. The process can be employed to transfer hydrogenate ketones and imines, which are preferably prochiral. Catalysts for use in such a process are also provided.

  提供了一种催化转移加氢过程。该过程中所使用的催化剂是一种金属烃基配合物，其与定义的双齿配体配位，该配体中至少有一个基团被选自可选择替代的磺化烃基团、磺化全氟烃基团或可选择替代的磺化杂环烃基团。优选金属包括铑、钌和铱。优选的双齿配体是二胺和氨基醇，特别是那些含手性中心的配体。氢供体优选是二级醇或三乙胺和甲酸的混合物。该过程可用于转移加氢酮和亚胺，这些酮和亚胺最好是可拆性的。还提供了用于这种过程的催化剂。
• Preparation of (Pentafluorosulfanyl)benzenes by Direct Fluorination of Diaryldisulfides: Synthetic Approach and Mechanistic Aspects
  作者：Javier Ajenjo、Blanka Klepetářová、Martin Greenhall、Daniel Bím、Martin Culka、Lubomír Rulíšek、Petr Beier

  DOI：10.1002/chem.201902651

  日期：——

  using elemental fluorine afforded substituted (pentafluorosulfanyl)benzenes. This work thus represents the first study of the scope and limitation of direct fluorination for the synthesis of new SF5 -containing building blocks. Fluorinations in batch and flow modes were compared. A comprehensive computational study was carried out employing density functional and wave function methods to elucidate the

  使用元素氟直接氟化邻，间和对位取代的芳族硫醇和二硫化物，得到取代的（五氟硫烷基）苯。因此，这项工作代表了对直接氟化合成新的含SF5的结构单元的范围和局限性的首次研究。比较了分批和流动模式下的氟化。利用密度泛函和波函数方法进行了全面的计算研究，阐明了ArSF3转变为ArSF5的反应机理。消除了各种非自由基途径，已表明反应是通过自由基机制进行的，该自由基机制是由F.对ArSF3部分的攻击发起的，并通过几乎无障碍的F2 + ArSF4传播。→ArSF5 +F。步骤，并由ArSF4终止。+ F。→ArSF5。
• DIMERIC IAP INHIBITORS
  申请人：STRAUB Christopher Sean

  公开号：US20110206690A1

  公开（公告）日：2011-08-25

  The present invention provides compounds of formula M-L-M′ (where M and M′ are each independently a monomeric moiety of Formula (I) and L is a linker). The dimeric compounds have been found to be effective in promoting apoptosis in rapidly dividing cells.

  本发明提供了公式M-L-M′的化合物（其中M和M′分别是公式（I）中的单体基团，L是连接物）。已发现二聚化合物在促进快速分裂细胞凋亡方面具有有效性。
• [EN] HETEROCYCLIC COMPOUNDS AND METHODS OF USE<br/>[FR] COMPOSES HETEROCYCLIQUES ET PROCEDES D'UTILISATION
  申请人：NOVARTIS AG

  公开号：WO2003043985A1

  公开（公告）日：2003-05-30

  Compounds of the formula (I) provide pharmacological agents which are potent agonists of Peroxisome Proliferator-Activated Receptors (PPARs). Accordingly, the compounds of the instant invention are useful for the treatment of conditions mediated by the PPAR receptor activity in mammals. Such conditions include dyslipidemia, hyperlipidemia, hypercholesteremia, atherosclerosis, hypertriglyceridemia, heart failure, myocardial infarction, vascular diseases, cardiovascular diseases, hypertension, obesity, inflammation, arthritis, cancer, Alzheimer's disease, skin disorders, respiratory diseases, ophthalmic disorders, inflammatory bowel diseases, ulcerative colitis and Crohn's disease. The compounds of the present invention are particularly useful in mammals as hypoglycemic agents for the treatment and prevention of conditions in which impaired glucose tolerance, hyperglycemia and insulin resistance are implicated, such as type-1 and type-2 diabetes, and Syndrome X. Preferred are the compounds of the invention which are dual agonists of PPARa and PPARy receptors.

  式(I)的化合物是有效的过氧化物酶体增殖物激活受体（PPARs）激动剂，具有药理学作用。因此，本发明的化合物可用于治疗哺乳动物中由PPAR受体活性介导的疾病。这些疾病包括血脂异常、高脂血症、高胆固醇血症、动脉粥样硬化、高甘油三酯血症、心力衰竭、心肌梗死、血管疾病、心血管疾病、高血压、肥胖、炎症、关节炎、癌症、阿尔茨海默病、皮肤疾病、呼吸系统疾病、眼科疾病、炎症性肠病、溃疡性结肠炎和克罗恩病等。本发明的化合物特别适用于哺乳动物中作为降糖药物，用于治疗和预防因糖耐量受损、高血糖和胰岛素抵抗引起的疾病，如1型和2型糖尿病以及X综合征。本发明的化合物中，PPARa和PPARy受体的双重激动剂是首选的。
• Heterocyclic compounds and methods of use
  申请人：——

  公开号：US20040248936A1

  公开（公告）日：2004-12-09

  Compounds of the formula 1 provide pharmacological agents which are potent agonists of Peroxisome Proliferator-Activated Receptors (PPARs). Accordingly, the compounds of the instant invention are useful for the treatment of conditions mediated by the PPAR receptor activity in mammals. Such conditions include dyslipidemia, hyperlipidemia, hypercholesteremia, atherosclerosis, hypertriglyceridemia, heart failure, myocardial infarction, vascular diseases, cardiovascular diseases, hypertension, obesity, inflammation, arthritis, cancer, Alzheimer's disease, skin disorders, respiratory diseases, ophthalmic disorders, inflammatory bowel diseases, ulcerative colitis and Crohn's disease. The compounds of the present invention are particularly useful in mammals as hypoglycemic agents for the treatment and prevention of conditions in which impaired glucose tolerance, hyperglycemia and insulin resistance are implicated, such as type-1 and type-2 diabetes, and Syndrome X. Preferred are the compounds of the invention which are dual agonists of PPAR&agr; and PPAR&ggr; receptors.

  式1的化合物提供了具有强效 Peroxisome Proliferator-Activated Receptors（PPARs）激动剂作用的药理剂。因此，本发明的化合物对哺乳动物体内由 PPAR 受体活性介导的疾病的治疗具有用处。这些疾病包括：血脂异常、高脂血症、高胆固醇血症、动脉硬化、高三酰甘油血症、心力衰竭、心肌梗塞、血管疾病、心血管疾病、高血压、肥胖、炎症、关节炎、癌症、阿尔茨海默病、皮肤疾病、呼吸系统疾病、眼科疾病、炎症性肠病、溃疡性结肠炎和克罗恩病。本发明的化合物在哺乳动物体内特别有用，作为降血糖剂，用于治疗和预防与糖耐量受损、高血糖和胰岛素抵抗有关的疾病，如1型和2型糖尿病以及X综合征。本发明的优选化合物是 PPAR&agr; 和 PPAR&ggr; 双重激动剂。