5-氯-1,2-苯异噻唑-3(2H)-酮 | 4337-43-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 中文名称: 5-氯-1,2-苯异噻唑-3(2H)-酮
• 中文别名: 5-氯-1,2-苯并异噻唑-3(2H)-酮
• 英文名称: 5-Chlor-3-hydroxy-1,2-benzisothiazol
• 英文别名: 5-chloro-benzo[d]isothiazol-3-one；5-chloro-1,2-benzisothiazol-3(2H)-one；5-chlorobenzo[d]isothiazol-3-ol；5-chloro-1,2-benzothiazol-3-one
• CAS: 4337-43-3
• 化学式: C₇H₄ClNOS
• mdl: MFCD01659015
• 分子量: 185.634
• InChiKey: IYFOEVOXKZUQPJ-UHFFFAOYSA-N

物化性质

• 熔点：
  265-266°C
• 密度：
  1.515±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于DMSO、甲醇（轻微、加热、超声处理）

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• WGK Germany：
  3

反应信息

• 作为反应物：
  描述：

  5-氯-1,2-苯异噻唑-3(2H)-酮 在 三氯氧磷 作用下， 以 吡啶 为溶剂， 生成 3,5-dicloro-1,2-benzisotiazolo
  参考文献：
  名称：

  Vitali; Mossini; Bertaccini, Farmaco, Edizione Scientifica, 1968, vol. 23, # 11, p. 1081 - 1096

  摘要：

  DOI：
• 作为产物：
  描述：

  5,5'-Dichlor-2,2'-bis-chlorcarbonyl-diphenyldisulfid 在 ammonium hydroxide 作用下， 生成 5-氯-1,2-苯异噻唑-3(2H)-酮
  参考文献：
  名称：

  ESR studies of nitrogen-centered free radicals. 31. Electron spin resonance spectroscopic study of cyclic thiocarboxamidyl radicals, 3-oxo-1,2-benzisothiazolin-2-yls. Complete evaluation of ESR parameters by measuring oxygen-17 and sulfur-33 hyperfine splittings and comparison of the ESR parameters with acyclic analogs

  摘要：

  DOI：

  10.1021/jo00247a039

文献信息

• [EN] SMALL MOLECULE OXIDIZERS OF PDI AND THEIR USE<br/>[FR] OXYDANTS DE LA PDI À PETITE MOLÉCULE ET LEUR UTILISATION
  申请人：UNIV COLUMBIA

  公开号：WO2016118639A1

  公开（公告）日：2016-07-28

  The present invention provides a method for treating or ameliorating the effects of a neurodegenerative disorder in a subject in need thereof comprising administering to the subject an effective amount of a compound selected from the group consisting of combinations thereof, or an N-oxide, crystalline form, hydrate, or pharmaceutically acceptable salt thereof. The present invention also provides a method for treating or ameliorating the effects of a condition associated with increased protein disulfide isomerase (PDI) activity and a method of modulating PDI activity in a cell. The present invention also provides compounds, salts, compositions and kits useful for the provided methods.

  本发明提供了一种治疗或改善需要的受试者神经退行性疾病影响的方法，包括向受试者施用所选化合物组合中的有效量，或其N-氧化物、结晶形式、水合物或药用可接受盐。本发明还提供了一种治疗或改善与增加蛋白二硫键异构酶（PDI）活性相关的病症的方法，以及调节细胞中PDI活性的方法。本发明还提供了用于所述方法的化合物、盐、组合物和试剂盒。
• An efficient approach to construct benzisothiazol-3(2H)-ones via copper-catalyzed consecutive reaction of 2-halobenzamides and carbon disulfide
  作者：Ting Li、Lei Yang、Kaidong Ni、Zhenyu Shi、Fei Li、Dongyin Chen

  DOI：10.1039/c6ob00819d

  日期：——

  An efficient copper-catalyzed reaction for the synthesis of benzisothiazol-3(2H)-ones has been developed, starting from easily available 2-halobenzamides and carbon disulfide, which gave the corresponding target products in 30–89% yield for 25 examples. The reaction proceeds via a consecutive process with S–C bond and S–N bond formation.

  从易于获得的2-卤代苯甲酰胺和二硫化碳开始，已经开发出了一种高效的铜催化反应用于合成苯并异噻唑-3（2 H）-酮，该方法在25个实例中得到相应的目标产物，收率为30-89％。反应通过具有S–C键和S–N键形成的连续过程进行。
• 9-Azabicyclo[3.3.1]nonane derivatives
  申请人：Napier Elizabeth Susan

  公开号：US20070112019A1

  公开（公告）日：2007-05-17

  The present invention relates to a 9-azabicyclo[3.3.1]nonane derivative of formula I, wherein each of the substituents is given the definition as set forth in the specification and claims, or a pharmaceutically acceptable salt or solvate thereof. The invention also relates to pharmaceutical compositions comprising said 9-azabicyclo[3.3.1]nonane derivatives and to their use in therapy.

  本发明涉及式I的9-氮杂双环[3.3.1]壬烷衍生物，其中每个取代基的定义如规范和索赔中所述，或其药学上可接受的盐或溶剂。该发明还涉及包含所述9-氮杂双环[3.3.1]壬烷衍生物的药物组合物及其在治疗中的应用。
• 9-azabicyclo[3.3.1]nonane derivatives
  申请人：N.V. Organon

  公开号：US07868017B2

  公开（公告）日：2011-01-11

  The present invention relates to a 9-azabicyclo[3.3.1]nonane derivative of formula I, wherein each of the substituents is given the definition as set forth in the specification and claims, or a pharmaceutically acceptable salt or solvate thereof. The invention also relates to pharmaceutical compositions comprising said 9-azabicyclo[3.3.1]nonane derivatives and to their use in therapy.

  本发明涉及一种式为I的9-氮杂双环[3.3.1]壬烷衍生物，其中每个取代基的定义如规范和权利要求所述，或其药学上可接受的盐或溶剂。本发明还涉及包括所述9-氮杂双环[3.3.1]壬烷衍生物的制药组合物以及它们在治疗中的应用。
• Silver halide photographic material
  申请人：KONICA CORPORATION

  公开号：EP0342987A1

  公开（公告）日：1989-11-23

  An improved silver halide photographic material having at least one layer of a light-sensitive silver halide emulsion that is spectrally sensitized with a sensitizing dye of the following general formula (1) to light having a wavelength of 750 nm and above. Said silver halide emulsion is prepared by a process which comprises generating silver halide grains by adding a solution of a water-soluble silver salt and a solution of a water-soluble halide to a solution containing a protective colloid, aggregating the generated silver halide grains with a polymeric flocculating together with the protective colloid, and removing the dissolved matter; where Z₁ and Z₃ each represents the non-metallic atomic group necessary to form an optionally substituted benzothiazole, benzoxazole, naphthothiazole or naphthoxazole nucleus; R₁ and R₂ each represents a saturated or unsaturated aliphatic group; Z₂ represents a 5- or 6-membered ring of carbon atoms; A represents a hydrogen atom when Z₂ is a 6-membered ring; X⊖ is an anion; and n is 1 or 2.

  一种改进的卤化银照相材料，它至少有一层感光卤化银乳剂，用下式(1)的感光染料对波长 750nm 及以上的光进行光谱感光。所述卤化银乳剂的制备方法包括：向含有保护胶体的溶液中加入水溶性银盐溶液和水溶性卤化物溶液，生成卤化银颗粒；将生成的卤化银颗粒与保护胶体一起用聚合物絮凝聚合；然后除去溶解物； 其中 Z₁ 和 Z₃ 各自代表形成任选取代的苯并噻唑、苯并恶唑、萘并噻唑或萘并恶唑核所需的非金属原子团；R₁ 和 R₂ 各自代表饱和或不饱和脂肪族基团； Z₂ 代表由碳原子组成的 5 或 6 元环；当 Z₂ 是 6 元环时，A 代表氢原子； X⊖ 是阴离子；以及 n 是 1 或 2。