4-[(4-tert-butyl)phenyl]-2-(diaminomethyleneimino)thiazole | 752964-35-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-[(4-tert-butyl)phenyl]-2-(diaminomethyleneimino)thiazole
• 英文别名: 4-[4-tert-butylphenyl]-2-(diaminomethyleneamino)thiazole；2-[4-(4-Tert-butylphenyl)-1,3-thiazol-2-yl]guanidine
• CAS: 752964-35-5
• 化学式: C₁₄H₁₈N₄S
• 分子量: 274.39
• InChiKey: FFRFUKHAHYFSTQ-UHFFFAOYSA-N

物化性质

• 熔点：
  242-243 °C
• 沸点：
  417.0±43.0 °C(predicted)
• 密度：
  1.24±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  106
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-叔丁基-2-氯苯乙酮 、 脒基硫脲 在 bismuth(III) chloride 作用下， 以 二氯甲烷 为溶剂， 反应 1.5h， 以35%的产率得到4-[(4-tert-butyl)phenyl]-2-(diaminomethyleneimino)thiazole
  参考文献：
  名称：

  Bismuth Chloride Mediated Synthesis, Antimicrobial, and Anti-Inflammatory Activities of New 4-Aryl-2-Amino Thiazoles

  摘要：

  Synthesis of 4-aryl-2-Amino thiazoles (3a-u), (4a-c), and (5a-c) was achieved from the reaction of 4-butyl phenacyl chlorides (2a-c) with N-substituted thioureas, in the presence of Bismuth Chloride. The antimicrobial and anti-inflammatory activities of the final products were also studied.

  DOI：

  10.1080/10426500701842019

文献信息

• Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies
  申请人：Berg Stefan

  公开号：US20100298340A1

  公开（公告）日：2010-11-25

  This invention relates to novel compounds having the structural formula I below: and to their pharmaceutically acceptable salt, compositions and methods of use. These novel compounds provide a treatment or prophylaxis of cognitive impairment, Alzheimer Disease, neurodegeneration and dementia.

  本发明涉及以下结构式I的新化合物，以及它们的药学上可接受的盐、组合物和使用方法。这些新化合物可用于治疗或预防认知障碍、阿尔茨海默病、神经退行性疾病和痴呆症。
• THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES
  申请人：AstraZeneca AB

  公开号：EP2010508A1

  公开（公告）日：2009-01-07
• [EN] THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES<br/>[FR] DÉRIVÉS DE THIAZOL-GUANIDINE UTILISÉS POUR TRAITER DES PATHOLOGIES ASSOCIÉES À BÊTA
  申请人：ASTRAZENECA AB

  公开号：WO2007120096A1

  公开（公告）日：2007-10-25

  [EN] This invention relates to novel compounds having the structural formula I below: and to their pharmaceutically acceptable salt, compositions and methods of use. These novel compounds provide a treatment or prophylaxis of cognitive impairment, Alzheimer Disease, neurodegeneration and dementia.
  [FR] Cette invention concerne de nouveaux composés représentés par la formule (I), leurs compositions et leur sel pharmaceutiquement acceptables et leurs modes d'utilisation. Ces nouveaux composés permettent le traitement ou la prophylaxie d'un trouble cognitif, de la maladie d'Alzheimer, de la neurodégénérescence et de la démence.
• Bismuth Chloride Mediated Synthesis, Antimicrobial, and Anti-Inflammatory Activities of New 4-Aryl-2-Amino Thiazoles
  作者：T. Giridhar、R. Buchi Reddy、A. Sunil Kumar、G. V. P. Chandra Mouli

  DOI：10.1080/10426500701842019

  日期：2008.7.4

  Synthesis of 4-aryl-2-Amino thiazoles (3a-u), (4a-c), and (5a-c) was achieved from the reaction of 4-butyl phenacyl chlorides (2a-c) with N-substituted thioureas, in the presence of Bismuth Chloride. The antimicrobial and anti-inflammatory activities of the final products were also studied.