1-苄基-5-(氯甲基)-1H-咪唑 | 784182-26-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1-苄基-5-(氯甲基)-1H-咪唑
• 英文名称: 1-benzyl-5-chloromethyl-1H-imidazole
• 英文别名: 1-Benzyl-5-chlormethyl-1H-imidazol；1-benzyl-5-chloromethyl-1H-imidazole；1-Benzyl-5-(chloromethyl)-1H-imidazole；1-benzyl-5-(chloromethyl)imidazole
• CAS: 784182-26-9
• 化学式: C₁₁H₁₁ClN₂
• mdl: MFCD13186112
• 分子量: 206.675
• InChiKey: GQOQUUCIZBMRMZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2933290090

反应信息

• 作为反应物：
  描述：

  1-苄基-5-(氯甲基)-1H-咪唑 在 氢氧化钾 、 sodium hydride 、 三乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 生成 (4S)-4-benzyl-3-[2-(3-benzylimidazol-4-yl)acetyl]-1,3-oxazolidin-2-one
  参考文献：
  名称：

  A versatile, enantioselective, stereocontrolled synthesis of (1S,2R)-imidazoleglycerol

  摘要：

  An efficient (21% overall yield), enantio- and diastereoselective, 11-step synthesis of (1S,2R)-imidazoleglycerol has been developed. The key steps are the stereoselective hydroxylation of an acyloxazolidinone enolate, the alkylation of a thioester with (MOMOCH(2))(2)CuLi and the stereodivergent reduction of the resulting ketone. The scope of the reaction of the enolate derived from 10 with heteroatom electrophiles has been studied. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0040-4039(96)02138-7
• 作为产物：
  描述：

  1-苄基-5-羟甲基-1H-咪唑 在 氯化亚砜 作用下， 生成 1-苄基-5-(氯甲基)-1H-咪唑
  参考文献：
  名称：

  A versatile, enantioselective, stereocontrolled synthesis of (1S,2R)-imidazoleglycerol

  摘要：

  An efficient (21% overall yield), enantio- and diastereoselective, 11-step synthesis of (1S,2R)-imidazoleglycerol has been developed. The key steps are the stereoselective hydroxylation of an acyloxazolidinone enolate, the alkylation of a thioester with (MOMOCH(2))(2)CuLi and the stereodivergent reduction of the resulting ketone. The scope of the reaction of the enolate derived from 10 with heteroatom electrophiles has been studied. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0040-4039(96)02138-7

文献信息

• Methods for treating CNS disorders with 4-imidazole derivatives
  申请人：Galley Guido

  公开号：US20070197622A1

  公开（公告）日：2007-08-23

  The present invention relates to methods for treating depression, anxiety disorders, bipolar disorder, attention deficit hyperactivity disorder, 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 which comprises administering to an individual a therapeutically effective amount of a compound of formula I wherein R, Ar, R 1 , R 1′ , R 2 , and n are as defined in the specification and to their pharmaceutically active salts, racemic mixtures, enantiomers, optical isomers and tautomeric forms. The invention also relates to novel compounds of formula I, compositions containing them, and methods for their preparation.

  本发明涉及一种治疗抑郁症、焦虑症、双相情感障碍、注意力缺陷多动障碍、压力相关障碍、精神疾病，如精神分裂症、神经疾病，如帕金森病、神经退行性疾病，如阿尔茨海默病、癫痫、偏头痛、高血压、物质滥用和代谢性疾病，如进食障碍、糖尿病、糖尿病并发症、肥胖症、脂质代谢异常、能量消耗和吸收的障碍、体温稳态的障碍和功能障碍、睡眠和昼夜节律的障碍以及心血管疾病的方法，包括向个体施用化合物I的治疗有效量，其中化合物I的R、Ar、R1、R1'、R2和n如规范中所定义，并且包括它们的药物活性盐、外消旋混合物、对映异构体和互变异构体。本发明还涉及化合物I的新型化合物、含有它们的组合物以及它们的制备方法。
• Imidazole derivatives, their preparation and pharmaceutical compositions
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0005528A2

  公开（公告）日：1979-11-28

  Novel imidazole derivatives of the formula wherein R' is hydrogen, nitro or amino, R2 is a phenyl, furyl or thienyl group which may be substituted by halogen, lower alkyl, lower alkoxy or di-lower-alkylamino, R3 is hydrogen or lower alkyl and X is halogen, and their physiologically acceptable salts, have excellent diuretic and hypotensive actions.

  式中的新型咪唑衍生物 其中 R' 为氢、硝基或氨基，R2 为苯基、呋喃基或噻吩基，可被卤素、低级烷基、低级烷氧基或二低级烷基氨基取代，R3 为氢或低级烷基，X 为卤素，它们及其生理上可接受的盐类具有良好的利尿和降压作用。
• WO2007/85556
  申请人：——

  公开号：——

  公开（公告）日：——
• Studies on Imidazoles. III. 1-Substituted Analogs of Histidine and Histamine
  作者：Reuben G. Jones、Keith C. McLaughlin

  DOI：10.1021/ja01175a062

  日期：1949.7
• EP1981880A2
  申请人：——

  公开号：EP1981880A2

  公开（公告）日：2008-10-22