3-(1H-苯并咪唑-1-基)丙酰胺 | 22492-17-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 中文名称: 3-(1H-苯并咪唑-1-基)丙酰胺
• 英文名称: 3-(1H-benzo[d]imidazol-1-yl)propanamide
• 英文别名: β-Benzimidazol-1-yl-propionamid；1-(2-carbamoylethyl)benzimidazole；3-benzoimidazol-1-yl-propionamide；3-benzimidazol-1-yl-propionic acid amide；3-Benzimidazol-1-yl-propionsaeure-amid；3-(1H-benzimidazol-1-yl)propanamide；3-(benzimidazol-1-yl)propanamide
• CAS: 22492-17-7
• 化学式: C₁₀H₁₁N₃O
• mdl: MFCD02060187
• 分子量: 189.217
• InChiKey: UTOCMNYFMMLILL-UHFFFAOYSA-N

物化性质

• 溶解度：
  25.5 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  60.9
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  3-(1H-苯并咪唑-1-基)丙酰胺 在 sodium hypobromide 作用下， 生成 2-(1H-苯并咪唑-1-基)乙胺
  参考文献：
  名称：

  1-(β-Aminoalkyl)benzimidazoles^1a

  摘要：

  DOI：

  10.1021/jo01359a018
• 作为产物：
  描述：

  3-(1H-苯并咪唑-1-基)丙腈 在 硫酸 作用下， 生成 3-(1H-苯并咪唑-1-基)丙酰胺
  参考文献：
  名称：

  1-(β-Aminoalkyl)benzimidazoles^1a

  摘要：

  DOI：

  10.1021/jo01359a018

文献信息

• Ultrasound assisted synthesis of imidazolium salts: An efficient way to ionic liquids
  作者：Gheorghita Zbancioc、Ionel I. Mangalagiu、Costel Moldoveanu

  DOI：10.1016/j.ultsonch.2014.10.028

  日期：2015.3

  In this study a straightforward and efficient approach concerning synthesis of 1,3-diazole derivatives under ultrasound (US) irradiation as well as under conventional thermal heating (TH) is presented. N-alkylation under US irradiation may be considered environmentally friendly in terms of higher yields, smaller amounts of solvent used and an overall energy efficiency due to a substantial reduction

  在这项研究中，提出了一种简单有效的方法，涉及在超声（US）辐射以及常规热加热（TH）下合成1,3-二唑衍生物。由于反应时间的大幅减少，在更高的收率，更少的溶剂用量和总体能源效率方面，美国辐射下的N-烷基化可被认为对环境无害。进行了超声与常规条件的对比研究。总体而言，事实证明，使用US比使用TH更有效。提出了关于咪唑和苯并咪唑在美国辐射下N1-烷基化反应中不同行为的可能解释。
• [EN] DIHYDRO-CYCLOPENTA-ISOQUINOLINE DERIVATIVES<br/>[FR] DÉRIVÉS DE DIHYDRO-CYCLOPENTA-ISOQUINOLINE
  申请人：UCB BIOPHARMA SRL

  公开号：WO2021130255A1

  公开（公告）日：2021-07-01

  The present invention relates to dihydro-cyclopenta-isoquinoline derivatives of formula (I), processes for preparing them, pharmaceutical compositions containing them and their use in treating disorders caused by IgE (such as allergic responses, non-allergic mast cell responses or certain autoimmune responses), and in particular disorders caused by the interaction of IgE with the FcεRI receptor.

  本发明涉及式（I）的二氢环戊基异喹啉衍生物，其制备方法，含有它们的药物组合物以及它们在治疗由IgE引起的疾病（如过敏反应、非过敏肥大细胞反应或某些自身免疫反应）中的用途，特别是由IgE与FcεRI受体相互作用引起的疾病。
• Imidazole compounds
  申请人：——

  公开号：US20020058659A1

  公开（公告）日：2002-05-16

  A novel class of imidazo heterocyclic compounds, pharmaceutical compositions comprising them and use thereof in the treatment and/or prevention of diseases and disorders related to the histamine H3 receptor. More particularly, the compounds are useful for the treatment and/or prevention of diseases and disorders in which an interaction with the histamine H3 receptor is beneficial.

  一种新型的咪唑杂环化合物类，包括它们的药物组合物以及在治疗和/或预防与组织胺H3受体相关的疾病和疾病的用途。更具体地说，这些化合物对于治疗和/或预防与组织胺H3受体相互作用有益的疾病和疾病是有用的。
• [EN] BENZIMIDAZOLES AND INDOLES AS TARO INHIBITORS<br/>[FR] BENZIMIDAZOLES ET INDOLES UTILISÉS COMME INHIBITEURS DE TARO
  申请人：MERCK SHARP & DOHME

  公开号：WO2017106134A1

  公开（公告）日：2017-06-22

  Novel compounds of the structural formula I, and the pharmaceutically acceptable salts thereof, are inhibitors of TarO and may be useful in the prevention, treatment and suppression of diseases mediated by TarO, such as bacterial infections, including gram negative bacterial infections and gram positive bacterial infections such as MRSA and MRSE, alone or in combination with a β-lactam antibiotic.

  化学结构式I的新型化合物及其药学上可接受的盐，是TarO的抑制剂，可用于预防、治疗和抑制由TarO介导的疾病，如细菌感染，包括革兰氏阴性细菌感染和革兰氏阳性细菌感染，例如耐甲氧西林金黄色葡萄球菌和耐甲氧西林表皮葡萄球菌，单独或与β-内酰胺类抗生素联合使用。
• NICKEL(II) COMPLEXES OF IMIDAZOLE-DERIVED LIGANDS WITH AN AMIDE GROUP: SOME COMPOUNDS WITH COMPLEX MAGNETIC BEHAVIOUR
  作者：M. Clara R. M. P. Basto、Gabriela V. A. Silva、Adélio A. S. C. Machado

  DOI：10.1081/sim-120003210

  日期：2002.9.4

  NiL4X2.xH(2)O compounds [L = 1-(2-carbamoylethyl)-4-methylimidazole C4MIm), 1-(2-carbamoylethyl)benzimidazole (CBIm) or 1-(2-carbamoylethyl)-5,6-dimethylbenzimidazole (CMMBIm)] have been prepared and characterised and the effect of different axial ligands, X, on the magnetic properties of the complexes has been examined. Diamagnetic and paramagnetic complexes with CMMBIm have been obtained. With C4MIm and CBIm, only paramagnetic compounds could be isolated. The CBIm ligand afforded complexes with unusual magnetic behaviour: NiCl2(CBIm)(4) is believed to exhibit a spin-singlet ground state with a low-lying spin triplet state and NiBr2(CBIm)(4) shows magnetic properties indicating structural changes over the temperature range studied. Structures of the compounds have been proposed based on spectroscopic and magnetic data and on powder X-ray diffraction patterns.

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