2-(苄基硫基)-4,5-二氢-1H-咪唑 | 20268-38-6

• 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: 2-(苄基硫基)-4,5-二氢-1H-咪唑
• 英文名称: 2-Benzylthio-Δ²-imidazolin
• 英文别名: 2-Benzylmercapto-imidazolin；2-benzylsulfanyl-4,5-dihydro-1H-imidazole
• CAS: 20268-38-6
• 化学式: C₁₀H₁₂N₂S
• mdl: MFCD01859809
• 分子量: 192.285
• InChiKey: UMIMRBZSSFFXQV-UHFFFAOYSA-N

物化性质

• 熔点：
  68-70 °C
• 沸点：
  317.7±35.0 °C(Predicted)
• 密度：
  1.19±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  49.7
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933290090

反应信息

• 作为反应物：
  描述：

  2-(苄基硫基)-4,5-二氢-1H-咪唑 、 5-异丙基-1,3-环己二酮 在 三乙烯二胺 sodium hydroxide 、 magnesium sulfate 、 crude product 、 甲苯 、 乙酸乙酯 作用下， 以 二氯甲烷 为溶剂， 反应 7.1h， 以to give 2.58 grams of product, m.p. 223°-225° C.的产率得到5-(1-methylethyl)-2-(2-imidazolidinylidene)-1,3-cyclohexanedione
  参考文献：
  名称：

  Herbicidal 2,6-dioxocyclohexylidene derivatives

  摘要：

  本发明涉及某些2,6-二氧代环己烯基取代的杂环化合物，对多种阔叶和禾本科杂草表现出广谱除草活性。

  公开号：

  US04537616A1
• 作为产物：
  描述：

  亚乙基硫脲 、 氯化苄 在 乙醇 作用下， 生成 2-(苄基硫基)-4,5-二氢-1H-咪唑
  参考文献：
  名称：

  Wilson, Journal of the Chemical Society, 1955, p. 1389

  摘要：

  DOI：

文献信息

• 2-IMIDAZOLINES
  申请人：Galley Guido

  公开号：US20090018180A1

  公开（公告）日：2009-01-15

  The present invention relates to compounds of formula I wherein X—Y, R 1 , and n are as defined herein and to their pharmaceutically active salts. Compounds of formula I have a good affinity to the trace amine associated receptors (TAARs), especially for TAAR1 and are useful for the treatment of depression, anxiety disorders, bipolar disorder, attention deficit hyperactivity disorder (ADHD), stress-related disorders, psychotic disorders such as schizophrenia, neurological diseases such as Parkinson's disease, neurodegenerative disorders such as Alzheimer's disease, epilepsy, migraine, hypertension, substance abuse and metabolic disorders such as eating disorders, diabetes, diabetic complications, obesity, dyslipidemia, disorders of energy consumption and assimilation, disorders and malfunction of body temperature homeostasis, disorders of sleep and circadian rhythm, and cardiovascular disorders.

  本发明涉及式I的化合物，其中X—Y、R1和n如本文所定义，并且涉及它们的药用活性盐。式I的化合物对痕量胺相关受体（TAARs）具有良好的亲和力，特别是对TAAR1，适用于治疗抑郁症、焦虑障碍、双相情感障碍、注意力缺陷多动障碍（ADHD）、与压力有关的障碍、精神分裂症等精神障碍、帕金森病等神经系统疾病、阿尔茨海默病等神经退行性疾病、癫痫、偏头痛、高血压、物质滥用以及代谢性障碍，如进食障碍、糖尿病、糖尿病并发症、肥胖症、血脂异常、能量消耗和吸收障碍、体温稳态障碍、睡眠和昼夜节律障碍，以及心血管疾病。
• Heterocyclic compounds as P2X7 ion channel blockers
  申请人：Shum Patrick

  公开号：US20050026916A1

  公开（公告）日：2005-02-03

  The present invention relates to a novel series of 4,5-diphenyl-2-amino-4,5-dihydro-imidazole derivatives of the formula II: wherein R, R 1 , R 2 , R 3 , R 4 , R 5 , X and Y are as defined herein. This invention also relates to methods of making these compounds. The compounds of this invention are P2X7 ion channel blockers and are therefore useful as pharmaceutical agents, especially in the treatment and/or prevention of a variety of diseases having an inflammatory component, including inflammatory bowel disease, rheumatoid arthritis and disease conditions associated with the central nervous system, such as stroke, Alzheimer's disease, etc.

  本发明涉及一种新的4,5-二苯基-2-氨基-4,5-二氢咪唑衍生物系列，其化学式为II： 其中R、R1、R2、R3、R4、R5、X和Y如本文所定义。本发明还涉及制备这些化合物的方法。本发明的化合物是P2X7离子通道阻断剂，因此在作为药用剂方面具有用途，特别是在治疗和/或预防具有炎症成分的各种疾病方面，包括炎症性肠病、类风湿关节炎以及与中枢神经系统相关的疾病状况，如中风、阿尔茨海默病等。
• HETEROCYCLIC COMPOUNDS AS P2X7 ION CHANNEL BLOCKERS
  申请人：SHUM Patrick

  公开号：US20080132550A1

  公开（公告）日：2008-06-05

  The present invention relates to a novel series of 4,5-diphenyl-2-amino-4,5-dihydro-imidazole derivatives of the formula II: wherein R, R 1 , R 2 , R 3 , R 4 , R 5 , X and Y are as defined herein. This invention also relates to methods of making these compounds. The compounds of this invention are P2X7 ion channel blockers and are therefore useful as pharmaceutical agents, especially in the treatment and/or prevention of a variety of diseases having an inflammatory component, including inflammatory bowel disease, rheumatoid arthritis and disease conditions associated with the central nervous system, such as stroke, Alzheimer's disease, etc.

  本发明涉及一种新的4,5-二苯基-2-氨基-4,5-二氢咪唑衍生物系列，其化学式为II：其中R、R1、R2、R3、R4、R5、X和Y如本文所定义。本发明还涉及制备这些化合物的方法。本发明的化合物是P2X7离子通道阻滞剂，因此在治疗和/或预防具有炎症成分的多种疾病方面，包括炎症性肠病、类风湿性关节炎以及与中枢神经系统相关的疾病状态，如中风、阿尔茨海默病等方面，具有药物学上的用途。
• N-phosphonomethylglycine derivatives and herbicidal compositions containing them
  申请人：Geshuri Laboratories Ltd.

  公开号：EP0103055A1

  公开（公告）日：1984-03-21

  The invention provides diiminourea, isothiourea and diisothiourea salts of N-Phosphonomethylglycine. The invention also provides phytotoxic compositions containing the same.

  本发明提供了 N-膦酰甲基甘氨酸的二亚氨基脲、异硫脲和二异硫脲盐。本发明还提供了含有这些物质的植物毒性组合物。
• A Synthesis of 2-Alkylamino-4,5-dihydroimidazoles
  作者：Samuel R. Aspinall、Ernest J. Bianco

  DOI：10.1021/ja01146a030

  日期：1951.2