4-tert-butyl-2-(chloromethyl)-1H-imidazole hydrochloride | 863399-50-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-tert-butyl-2-(chloromethyl)-1H-imidazole hydrochloride
• 英文别名: 4-tert-butyl-2-chloromethyl-1H-imidazole hydrochloride；5-tert-butyl-2-(chloromethyl)-1H-imidazole;hydrochloride
• CAS: 863399-50-2
• 化学式: C₈H₁₃ClN₂*ClH
• 分子量: 209.119
• InChiKey: VTMKRQPBHIDVCY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.87
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  28.7
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-tert-butyl-2-(chloromethyl)-1H-imidazole hydrochloride 、 氰化钾 以 乙醇 、 水 为溶剂， 反应 3.0h， 以67%的产率得到[4-(2-甲基-2-丙基)-1H-咪唑-2-基]乙腈
  参考文献：
  名称：

  EP1717238

  摘要：

  公开号：
• 作为产物：
  描述：

  (4-tert-butyl-1H-imidazol-2-yl)methanol 在 氯化亚砜 作用下， 反应 9.0h， 以2.91 g的产率得到4-tert-butyl-2-(chloromethyl)-1H-imidazole hydrochloride
  参考文献：
  名称：

  Novel antifungal agents: Triazolopyridines as inhibitors of β-1,6-glucan synthesis

  摘要：

  Preparations and in vitro antifungal activities of triazolopyridines, imidazopyridines, and a pyrazolopyridine were reported. Among those scaffolds, triazolopyridine was found to be the specific inhibitor of the synthesis of beta-1,6-glucan, an essential component of the fungal cell wall, and to show potent antifungal activities against several Candida species. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.06.096

文献信息

• Heterocyclic compounds having antifungal activity
  申请人：Kawakami Katsuhiro

  公开号：US20070191395A1

  公开（公告）日：2007-08-16

  A compound which can specifically or selectively expresses an antifungal activity with a broad spectrum, based on the functional mechanism of 1,6-β-glucan synthesis inhibition, is provided, and an antifungal agent which comprises such a compound, a salt thereof or a solvate thereof is provided. A compound represented by the following formula (I), a salt thereof or a solvate thereof.

  提供一种化合物，基于 1,6-β-葡聚糖合成抑制的功能机制，可以特异性或选择性地表达广谱的抗真菌活性，并提供一种包含该化合物、其盐或溶剂化物的抗真菌剂。化合物的结构式如下（I），其盐或溶剂化物。
• FUNGICIDAL HETEROCYCLIC COMPOUNDS
  申请人：DAIICHI PHARMACEUTICAL CO., LTD.

  公开号：EP1717238A1

  公开（公告）日：2006-11-02

  A compound which can specifically or selectively expresses an antifungal activity with a broad spectrum, based on the functional mechanism of 1,6-β-glucan synthesis inhibition, is provided, and an antifungal agent which comprises such a compound, a salt thereof or a solvate thereof is provided. A compound represented by the following formula (I), a salt thereof or a solvate thereof.

  本发明提供了一种基于抑制 1，6-β-葡聚糖合成的功能机理，能特异性或选择性地表达广谱抗真菌活性的化合物，并提供了一种包含这种化合物、其盐或其溶液的抗真菌剂。由下式（I）代表的化合物、其盐或其溶液。