2-氯-4,5-二甲基-1,3-噻唑 | 56355-41-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 2-氯-4,5-二甲基-1,3-噻唑
• 中文别名: 2-氯-4,5-二甲基噻唑
• 英文名称: 2-chloro-4,5-dimethyl-1,3-thiazole
• 英文别名: 2-chloro-4,5-dimethylthiazole；2-chloro-4,5-dimethyl-thiazole；2-Chlor-4,5-dimethyl-thiazol
• CAS: 56355-41-0
• 化学式: C₅H₆ClNS
• mdl: MFCD17249933
• 分子量: 147.628
• InChiKey: UTMPHXLKDRAIDK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  41.1
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P305+P351+P338,P330,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H315,H319,H335
• 储存条件：
  室温

反应信息

• 作为反应物：
  描述：

  2-氯-4,5-二甲基-1,3-噻唑 在 盐酸 、 溶剂黄146 作用下， 生成 4-(4,5-dimethyl-thiazole-2-sulfonyl)-aniline
  参考文献：
  名称：

  Ganapathi; Venkataraman, Proceedings - Indian Academy of Sciences, Section A, 1948, # 28, p. 556,559

  摘要：

  DOI：
• 作为产物：
  描述：

  4,5-二甲基噻唑 在 乙酰氯 、 间氯过氧苯甲酸 作用下， 以 乙酸乙酯 为溶剂， 反应 22.0h， 生成 2-氯-4,5-二甲基-1,3-噻唑
  参考文献：
  名称：

  Begtrup, Mikael; Hansen, Lars Bo L., Acta Chemica Scandinavica, 1992, vol. 46, # 4, p. 372 - 383

  摘要：

  DOI：

文献信息

• Preparation and use of aryl alkyl acid derivatives for the treatment of obesity
  申请人：Bayer Pharmaceuticals Corporation

  公开号：US20040224997A1

  公开（公告）日：2004-11-11

  This invention relates to certain aryl alkyl acid compounds, compositions, and methods for treating or preventing obesity and related diseases.

  这项发明涉及某些芳基烷基酸化合物、组合物以及治疗或预防肥胖和相关疾病的方法。
• Phenyl-Substituted Bicyclooctane-1,3-Dione-Derivatives
  申请人：Angermann Alfred

  公开号：US20130316906A1

  公开（公告）日：2013-11-28

  The invention relates to novel compounds of the formula (I) in which R 1 , R 2 , R 3 , R 4 , R 5 , Y, Q and G have the meanings given above, to a plurality of processes and intermediates for their preparation and to their use as herbicides and/or pesticides. Moreover, the invention relates to selective herbicidal compositions comprising, firstly, the phenyl-substituted bicyclooctane-1,3-dione derivates and, secondly, a crop plant compatibility-improving compound. The present invention furthermore relates to increasing the activity of crop protection compositions comprising in particular phenyl-substituted bicyclooctane-1,3-dione derivates by adding ammonium salts or phosphonium salts and, if appropriate, penetrants, to the corresponding compositions, to processes for their preparation and to their use in crop protection as pesticides and/or for preventing unwanted plant growth.

  本发明涉及式(I)的新颖化合物，其中R1、R2、R3、R4、R5、Y、Q和G具有上述含义，涉及制备这些化合物的一系列方法和中间体，以及它们作为除草剂和/或杀虫剂的用途。此外，本发明涉及包含以下两部分的选择性除草组合物：第一，苯基取代的双环辛烷-1,3-二酮衍生物；第二，提高与作物植物相容性的化合物。本发明还涉及通过添加铵盐或磷鎓盐以及必要时的渗透剂，提高包含特别是苯基取代的双环辛烷-1,3-二酮衍生物的作物保护组合物的活性，涉及相应的组合物、制备这些组合物的方法以及它们在作物保护中作为杀虫剂和/或防止不希望的植物生长的用途。
• [EN] THERAPEUTICS TARGETING MUTANT ADENOMATOUS POLYPOSIS COLI (APC) FOR THE TREATMENT OF CANCER<br/>[FR] AGENTS THÉRAPEUTIQUES CIBLANT LA POLYPOSE ADÉNOMATEUSE COLIQUE (APC) MUTANTE POUR LE TRAITEMENT DU CANCER
  申请人：UNIV TEXAS

  公开号：WO2020117972A1

  公开（公告）日：2020-06-11

  The present disclosure reports an extensive medicinal chemistry evaluation of a large collection of Truncating APC-Selective Inhibitor (TASIN) compounds. The compounds were evaluated for activity against a series of colon cancer cell lines with and without truncating APC-mutations, as well as in an isogenic cell line pair reporting on the status of APC- dependent selectivity. A number of very potent and selective compounds were identified, including compounds with good metabolic stability and PK properties. The small molecules reported herein thus represent a first-in-class genotype-selective series that specifically target ape mutations present in the vast majority of CRC patients, and therefore serves as a translational platform towards a potential targeted therapy for colon cancer.

  本披露报告了对大量截断APC-选择性抑制剂（TASIN）化合物的广泛药物化学评估。这些化合物针对一系列结肠癌细胞系进行了活性评估，包括具有截断APC突变和不具有截断APC突变的细胞系，以及在报告APC依赖性选择性状况的同源细胞系对。鉴定了一些非常有效和选择性的化合物，包括具有良好代谢稳定性和药代动力学性质的化合物。因此，本文报道的小分子代表了一种首创的基因型选择性系列，专门针对存在于绝大多数结直肠癌患者中的猿类突变，因此可作为一个转化平台，朝着结肠癌的潜在靶向治疗迈进。
• Thiopegan derivatives—XXI
  作者：G.M. Sharma、H.S. Sachdev、N.K. Ralhan、H. Singh、G. Sarjit Sandhu、K. Gandhi、K.S. Narang

  DOI：10.1016/0040-4020(61)80007-0

  日期：1961.1

  Reactions between α-haloketones and o-carbethoxy phenyl thiourea have been discussed; a mechanism for the observed exclusive formation of 9:10-thiopega-2:10-diene-4-ones in the case of α-haloalkaryl ketones has been advanced and a number of intermediates isolated in case of chloro acetone.

  讨论了α-卤代酮与邻-甲乙氧基苯基硫脲之间的反应。已经提出了在α-卤代烷芳基酮的情况下观察到的9：10-thiopega-2：10-二烯-4-酮的排他性形成的机理，并且在氯丙酮的情况下，分离了许多中间体。
• [EN] MESOIONIC PESTICIDES<br/>[FR] PESTICIDES MÉSOIONIQUES
  申请人：DU PONT

  公开号：WO2009099929A1

  公开（公告）日：2009-08-13

  Disclosed are compounds of Formula 1, wherein X is O or S; Y is O or S; and R1, R2, R3 and R4 are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula 1 and methods for controlling an invertebrate pest comprising contacting the invertebrate pest or its environment with a biologically effective amount of a compound or a composition of the invention.

  揭示了Formula 1中的化合物，其中X为O或S；Y为O或S；R1、R2、R3和R4如披露所定义。还披露了含有Formula 1中化合物的组合物以及控制无脊椎动物害虫的方法，包括将无脊椎动物害虫或其环境与本发明的化合物或组合物的生物有效量接触。