1-对硝基苯磺酰基-1,2,4-三唑 | 57777-84-1

• 物质功能分类: 生物化工 - 核苷类药物 - 核苷酸及其类似物
• 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: 1-对硝基苯磺酰基-1,2,4-三唑
• 中文别名: 1-对硝基苯磺酸基-1,2,4-三唑；1-(4-硝基苯磺酰基)-1H-1,2,4-三唑；1-(4-硝基苯磺酰)-1H-1,2,4-三唑
• 英文名称: p-Nitrobenzolsulfonyltriazolid
• 英文别名: 1-(p-Nitrobenzolsulfonyl)-(1H)-1,2,4-triazol；1-(4-nitro-benzenesulfonyl)-1H-[1,2,4]triazole；1-[(4-nitrophenyl)sulfonyl]-1H-1,2,4-triazole；1-((4-Nitrophenyl)sulfonyl)-1H-1,2,4-triazole；1-(4-nitrophenyl)sulfonyl-1,2,4-triazole
• CAS: 57777-84-1
• 化学式: C₈H₆N₄O₄S
• mdl: MFCD00079529
• 分子量: 254.226
• InChiKey: HMNOLKQVFZCVIW-UHFFFAOYSA-N

物化性质

• 沸点：
  506.4±52.0 °C(Predicted)
• 密度：
  1.69
• 稳定性/保质期：

  在常温常压下稳定，应避免接触水。

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  119
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• WGK Germany：
  3
• 海关编码：
  2933990090
• 危险性防范说明：
  P264,P280,P302+P352,P337+P313,P305+P351+P338,P362+P364,P332+P313
• 危险性描述：
  H315,H319

反应信息

• 作为反应物：
  描述：

  1-(6-(1-methyl-1H-pyrazol-4-yl)benzo[d]thiazol-2-yl)azetidin-3-ol 、 N,N-二异丙基乙胺 、 1-对硝基苯磺酰基-1,2,4-三唑 、 三乙胺 在 二氯甲烷 、 ethyl acetate dichloromethane 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 以to give 1-(6-(1-methyl-1H-pyrazol-4-yl)benzo[d]thiazol-2-yl)azetidin-3-yl 4-nitrobenzenesulfonate的产率得到1-(6-(1-methyl-1H-pyrazol-4-yl)benzo[d]thiazol-2-yl)azetidin-3-yl 4-nitrobenzenesulfonate
  参考文献：
  名称：

  BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE

  摘要：

  公式（I）的化合物在治疗由组胺-3受体配体预防或缓解的疾病或疾病中有用。还揭示了公式（I）化合物的制药组合物，使用这种化合物和组合物的方法，以及制备这些化合物的过程。

  公开号：

  US20090163464A1

文献信息

• Benzothiazole and benzooxazole derivatives and methods of use
  申请人：Abbott Laboratories

  公开号：US08153813B2

  公开（公告）日：2012-04-10

  Compounds of formula (I) are useful in treating conditions or disorders prevented by or ameliorated by histamine-3 receptor ligands. Also disclosed are pharmaceutical compositions of compounds of formula (I), methods for using such compounds and compositions, and a process for preparing the compounds.

  公式（I）的化合物对于治疗由组胺-3受体配体防止或改善的疾病或疾病状态是有用的。此外，还披露了公式（I）化合物的药物组合物，使用此类化合物和组合物的方法以及制备化合物的过程。
• INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF
  申请人：OKUYAMA Masahiro

  公开号：US20110251385A1

  公开（公告）日：2011-10-13

  The present invention relates to a production method of an optically active morpholine compound represented by the formula 10, which includes the following steps: wherein each symbol is as defined in the specification. The present invention also relates to a production method of an compound represented by the formula 55, which includes the following steps: wherein each symbol is as defined in the specification. According to the production method of the present invention, an optically active 2-aryl-substituted morpholine compound and 3-oxo-3-(pyrimidin-4-yl)propionate, which are important as starting materials for synthesizing 2-(2-arylmorpholin-4-yl)-1-methyl-1H-[4,4′]bipyrimidinyl-6-one having a tau protein kinase 1 inhibitory activity and useful as a therapeutic drug for Alzheimer's disease and the like, can be produced in a high yield by an industrially advantageous method.

  本发明涉及一种光学活性吗啉化合物的生产方法，其由公式10表示，包括以下步骤：其中每个符号如规范中所定义。本发明还涉及一种由公式55表示的化合物的生产方法，其包括以下步骤：其中每个符号如规范中所定义。根据本发明的生产方法，可以通过一种工业上有利的方法高产地生产重要的起始材料，即光学活性2-芳基取代吗啉化合物和3-氧代-3-(嘧啶-4-基)丙酸酯，用于合成具有tau蛋白激酶1抑制活性的2-(2-芳基吗啉-4-基)-1-甲基-1H-[4,4′]联吡啶基-6-酮，该化合物对阿尔茨海默病等有用作用的治疗药物。
• LIQUID CRYSTAL COMPOSITION
  申请人：Sumitomo Chemical Company, Limited

  公开号：US20170335191A1

  公开（公告）日：2017-11-23

  A liquid crystal composition which prevents production of an alignment defect of a liquid crystal compound and also has excellent storage stability during dissolution in a solvent is provided. The liquid crystal composition is suitable for constituting a retardation film capable of favorable circular polarization conversion. The liquid crystal composition includes a polymerizable liquid crystal compound having 3 or more ring structures in the main chain, and aluminum. A content of the aluminum is 1 ppm or more and 170 ppm or less relative to the polymerizable liquid crystal compound.

  提供了一种液晶组合物，可以防止液晶化合物的对准缺陷产生，并且在溶剂中溶解时具有优异的储存稳定性。该液晶组合物适用于构成具有良好圆偏振转换的减速膜。该液晶组合物包括具有3个或更多环结构的可聚合液晶化合物和铝。铝的含量相对于可聚合液晶化合物为1 ppm或更多，170 ppm或更少。
• PHOTOSENSITIVE POLYSILAZANE COMPOSITION, METHOD OF FORMING PATTERN THEREFROM, AND METHOD OF BURNING COATING FILM THEREOF
  申请人：CLARIANT INTERNATIONAL LTD.

  公开号：EP1239332A1

  公开（公告）日：2002-09-11

  A finely patterned silica type ceramic film suitable as an inter-layer dielectric is formed in a short time by applying, onto a substrate, a positive working radiation sensitive polysilazane composition comprising a modified poly(sil sesquiazane) having a number average molecular weight of 100 to 100,000 and containing a basic constituent unit represented by the general formula: -[SiR6(NR7)1.5]- and other constituent units represented by the general formula: -[SiR62NR7]- and/or -[SiR63(NR7)0.5]- (R6 and R7 independently represent a hydrogen atom, a C1-3 alkyl group or a substituted or unsubstituted phenyl group) in a ratio of 0.1 to 100 mol-% to said basic constituent unit, a photo acid generator and preferably a water-soluble compound as a shape stabilizer, then patternwise exposing the resultant coating film, subjecting the exposed part of the coating film to moistening treatment, developing it with an aqueous alkali solution, wholly exposing the coating film to light and moistening treatment again, followed by burning treatment.

  一种适用于层间电介质的精细图案化二氧化硅型陶瓷膜是通过在基底上涂敷一种正工作辐射敏感性聚硅氮烷组合物在短时间内形成的，该组合物包含一种改性聚硅氮烷，其平均分子量为 100 至 100000，并含有由通式表示的基本组成单元：-[SiR6(NR7)1.5]-和由通式代表的其他组成单元：-[SiR62NR7]-和/或-[SiR63(NR7)0.5]-(R6 和 R7 独立地代表氢原子、C1-3 烷基或取代或未取代的苯基)，与所述基本组成单元的比例为 0.然后，将所得涂膜进行图案化曝光，将涂膜的曝光部分进行湿润处理，用碱水溶液显影，将涂膜完全曝光于光并再次进行湿润处理，然后进行灼烧处理。
• PHOTOSENSITIVE COMPOSITION FOR INTERLAYER DIELECTRIC AND METHOD OF FORMING PATTERNED INTERLAYER DIELECTRIC
  申请人：AZ Electronic Materials (Japan) K.K.

  公开号：EP1548499A1

  公开（公告）日：2005-06-29

  There is provided a photosensitive composition which possesses excellent storage stability and can yield an interlayer insulation film with an improved film thickness limit. The photosensitive composition comprises a modified polysilsesquiazane having a weight average molecular weight of 500 to 200,000 comprising basic constitutional units represented by formula -[SiR1(NR2)1.5]- wherein R1's each independently represent an alkyl group having 1 to 3 carbon atoms or a substituted or unsubstituted phenyl group; R2's each independently represent hydrogen, an alkyl group having 1 to 3 carbon atoms, or a substituted or unsubstituted phenyl group, up to 50% by mole of the basic constitutional units having been replaced by a linking group other than the silazane bond; and a photoacid generating agent.

  本发明提供了一种光敏组合物，它具有优异的贮存稳定性，并能产生具有改进的膜厚度极限的层间绝缘膜。该光敏组合物包括一种改性聚硅烷基噻嗪，其重量平均分子量为 500 至 200,000，包含由式-[SiR1(NR2)1.5]-其中 R1 各自独立地代表具有 1 至 3 个碳原子的烷基或取代或未取代的苯基；R2 各自独立地代表氢、具有 1 至 3 个碳原子的烷基或取代或未取代的苯基，以摩尔计最多有 50%的基本构型单元被硅烷键以外的连接基团取代；以及一种光酸生成剂。