4-甲基苯并[D]噻唑-2-甲酸 | 3507-47-9

• 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: 4-甲基苯并[D]噻唑-2-甲酸
• 英文名称: 2-Carboxy-4-methyl-benzothiazol
• 英文别名: 4-Methyl-benzthiazol-carbonsaeure-(2)；4-methyl-benzothiazole-2-carboxylic acid；4-Methyl-benzothiazol-2-carbonsaeure；4-Methyl-1,3-benzothiazole-2-carboxylic acid
• CAS: 3507-47-9
• 化学式: C₉H₇NO₂S
• mdl: MFCD11217404
• 分子量: 193.226
• InChiKey: OGZSALMHZWEKSS-UHFFFAOYSA-N

物化性质

• 熔点：
  108-109 °C
• 沸点：
  388.2±35.0 °C(Predicted)
• 密度：
  1.430±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.111
• 拓扑面积：
  78.4
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2934200090

反应信息

• 作为反应物：
  描述：

  4-甲基苯并[D]噻唑-2-甲酸 以 苯 为溶剂， 生成 4-甲基苯并噻唑(7ci,8ci,9ci)
  参考文献：
  名称：

  Taddei,F. et al., Gazzetta Chimica Italiana, 1965, vol. 95, p. 499 - 506

  摘要：

  DOI：
• 作为产物：
  描述：

  N-(2-methylphenyl)cyanothioformanilide 在 sodium hydroxide 、 potassium hexacyanoferrate(III) 作用下， 生成 4-甲基苯并[D]噻唑-2-甲酸
  参考文献：
  名称：

  Reissert; Brueggemann, Chemische Berichte, 1924, vol. 57, p. 987

  摘要：

  DOI：

文献信息

• Direct C–H Carboxylation with Carbon Dioxide Using 1,2,3-Triazol-5-ylidene Copper(I) Complexes
  作者：Hiroshi Inomata、Kenichi Ogata、Shin-ichi Fukuzawa、Zhaomin Hou

  DOI：10.1021/ol301760n

  日期：2012.8.3

  2,3-Triazol-5-ylidene copper(I) complexes (tzNHC-Cu) efficiently catalyzed the direct C–H carboxylation of benzoxazole and benzothiazole derivatives with CO2 to give the corresponding esters in excellent yields after treatment with alkyl iodide. The tzNHC copper(I) complex, i.e., [(TPr)CuCl], worked somewhat more effectively than the corresponding imidazol-2-ylidene copper(I) complex [(IPr)CuCl] to

  1,2,3-三唑-5-亚甲基铜（I）配合物（tz NHC-Cu）有效地催化了CO 2对苯并恶唑和苯并噻唑衍生物的直接C–H羧化反应，并在用烷基处理后以优异的收率得到相应的酯碘化物 的TZ NHC铜（I）配合物，即[（TPR）的CuCl]，工作稍微更有效地比相应的咪唑-2-亚基铜（I）配合物[（IPR）的CuCl]，得到羧化产物更高的产率。
• Synthesis of novel cycloheptylbenzothiazole-2-carboxamides and biological evaluation as human estrogen receptor modulators
  作者：Purushottam Kapse、Rupesh V. Chikhale、Mohammad Rizwan Khan、Saikh M. Wabaidur、Md Ataul Islam

  DOI：10.1016/j.molstruc.2020.129516

  日期：2021.3

  development of newer better and safer agents. Herein, we report nine novel benzothiazole derivatives based on structure-based drug discovery and molecular modelling approaches. Material and methods : Newly designed compounds were synthesized following a four-step reaction and were characterized for structural confirmation. These novel compounds were evaluated on the MTT assay for their in vitro efficiency

  摘要 背景：膀胱癌是致命的癌症之一，仅在 2015-16 年就有 16,390 人死亡，新增病例 76,960 例。令人担忧的问题更为严重，治疗选择非常有限，并且缺乏新药，顺铂和多柔比星是仅有的两种主要用于治疗的药物。这种情况以及流行病学数据要求开发更新更好、更安全的药物。在此，我们报告了基于基于结构的药物发现和分子建模方法的九种新型苯并噻唑衍生物。材料和方法：经过四步反应合成新设计的化合物，并对其进行结构确认。使用 TCP1020 细胞系在 MTT 分析中评估了这些新化合物的体外效率。基于计算机研究进一步分析了它们的作用机制。结果： 该系列中的两种化合物显示出与计算机研究一致的有希望的结果。发现在氮的第七位的甲基降低了该系列的电子亲和力，因此是 4e 中活性的原因。甲基取代的化合物 4e 和氟取代的化合物 4i 显示出最高的活性，IC50 分别为 10.1 ± 0.2 和 7.8 ± 0
• METHOD FOR PRODUCING METAL PARTICLE DISPERSION, CONDUCTIVE INK USING METAL PARTICLE DISPERSION PRODUCED BY SUCH METHOD, AND CONDUCTIVE COATING FILM
  申请人：Toyo Ink Mfg. Co., Ltd

  公开号：EP1952918A1

  公开（公告）日：2008-08-06

  Disclosed is a method for producing a metal particle dispersion wherein a metal compound is reduced by using carbodihydrazide represented by the formula (1) below or a polybasic acid polyhydrazide represented by the formula (2) below (wherein R represents an n-valent polybasic acid residue) in a liquid medium. By reducing the metal compound in the presence of a compound having a function preventing discoloration of the metal, there can be obtained a metal particle dispersion having excellent discoloration preventing properties. Metal particles produced by such methods have a uniform particle diameter and are excellent in dispersion stability. By using a conductive resin composition or conductive ink containing a metal particle dispersion obtained by such production methods, there can be formed a conductive coating film, such as a conductive circuit or an electromagnetic layer, having good characteristics.

  本发明公开了一种生产金属颗粒分散液的方法，该方法通过在液体介质中使用下式 (1) 所代表的碳二酰肼或下式 (2) 所代表的多基酸多酰肼（其中 R 代表正价多基酸残基）还原金属化合物。通过在具有防止金属褪色功能的化合物存在下还原金属化合物，可获得具有优异防褪色性能的金属颗粒分散液。通过这种方法制得的金属颗粒具有均匀的颗粒直径和出色的分散稳定性。使用含有通过这种生产方法获得的金属颗粒分散体的导电树脂组合物或导电墨水，可以形成具有良好特性的导电涂膜，例如导电电路或电磁层。
• Method for Producing Metal Particle Dispersion, Conductive Ink Using Metal Particle Dispersion Produced by Such Method, and Conductive Coating Film
  申请人：Sakaguchi Kaori

  公开号：US20090258202A1

  公开（公告）日：2009-10-15

  Disclosed is a method for producing a metal particle dispersion wherein a metal compound is reduced by using carbodihydrazide represented by the formula (1) below or a polybasic acid polyhydrazide represented by the formula (2) below (wherein R represents an n-valent polybasic acid residue) in a liquid medium. By reducing the metal compound in the presence of a compound having a function preventing discoloration of the metal, there can be obtained a metal particle dispersion having excellent discoloration preventing properties. Metal particles produced by such methods have a uniform particle diameter and are excellent in dispersion stability. By using a conductive resin composition or conductive ink containing a metal particle dispersion obtained by such production methods, there can be formed a conductive coating film, such as a conductive circuit or an electromagnetic layer, having good characteristics.
• METHOD FOR PRODUCING METAL PARTICLE DISPRESION, CONDUCTIVE INK USING METAL PARTICLE DISPERSION PRODUCED BY SUCH METHOD, AND CONDUCTIVE COATING FILM
  申请人：SAKAGUCHI Kaori

  公开号：US20110175040A1

  公开（公告）日：2011-07-21

  Disclosed is a method for producing a metal particle dispersion wherein a metal compound is reduced by using carbodihydrazide represented by the formula (1) below or a polybasic acid polyhydrazide represented by the formula (2) below (wherein R represents an n-valent polybasic acid residue) in a liquid medium. By reducing the metal compound in the presence of a compound having a function preventing discoloration of the metal, there can be obtained a metal particle dispersion having excellent discoloration preventing properties. Metal particles produced by such methods have a uniform particle diameter and are excellent in dispersion stability. By using a conductive resin composition or conductive ink containing a metal particle dispersion obtained by such production methods, there can be formed a conductive coating film, such as a conductive circuit or an electromagnetic layer, having good characteristics.