N-二甲氧基甲基苯并咪唑 | 860469-26-7

• 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: N-二甲氧基甲基苯并咪唑
• 英文名称: N-dimethyoxymethyl benzimidazole
• 英文别名: 1-(dimethoxymethyl)-1H-benzo[d]imidazol；1-(Dimethoxymethyl)benzimidazole；1-(dimethoxymethyl)benzimidazole
• CAS: 860469-26-7
• 化学式: C₁₀H₁₂N₂O₂
• 分子量: 192.217
• InChiKey: RQSPBRXNBGLECP-UHFFFAOYSA-N

物化性质

• 沸点：
  120-125 °C(Press: 3 Torr)
• 密度：
  1.17±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  36.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-二甲氧基甲基苯并咪唑 、 三甲基乙酸乙酯 在 lithium diisopropyl amide 、 盐酸 作用下， 以 正庚烷 、 甲苯 为溶剂， 反应 3.0h， 以60%的产率得到1-(1H-Benzoimidazol-2-yl)-2,2-dimethyl-propan-1-one
  参考文献：
  名称：

  Why are benzimidazoles efficiently acylated with esters? Identification of a tetrahedral hemiacetal alkoxide intermediate

  摘要：

  2-Lithio benzimidazoles were acylated with esters, lactones, and lactams. The tetrahedral hemiacetal intermediates responsible for the efficient conversion were characterized by low temperature NMR. (c) 2005 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2005.05.068
• 作为产物：
  描述：

  苯并咪唑 、 原甲酸三甲酯 在 苯磺酸 作用下， 反应 12.0h， 生成 N-二甲氧基甲基苯并咪唑
  参考文献：
  名称：

  Why are benzimidazoles efficiently acylated with esters? Identification of a tetrahedral hemiacetal alkoxide intermediate

  摘要：

  2-Lithio benzimidazoles were acylated with esters, lactones, and lactams. The tetrahedral hemiacetal intermediates responsible for the efficient conversion were characterized by low temperature NMR. (c) 2005 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2005.05.068

文献信息

• RING-FUSED HETEROCYCLIC COMPOUND
  申请人：Kyowa Hakko Kirin Co., Ltd.

  公开号：US20150284384A1

  公开（公告）日：2015-10-08

  The ring-fused heterocyclic compound or a pharmaceutically acceptable salt thereof according to the present invention has a T-type calcium channel regulatory effect, and is useful, for example, as a medicament for treating and/or preventing pruritus. The present invention provides a ring-fused heterocyclic compound represented by the following general formula (I) or a pharmaceutically acceptable salt thereof and the like which has a T-type calcium channel regulatory effect and is useful as a therapeutic and/or preventive agent for pruritus, and the like. [wherein, R 1 represents optionally substituted lower alkyl and the like, R 2 represents optionally substituted lower alkyl and the like, R 3 represents the formula (II): (wherein, n represents 0 or 1, R 3a represents a hydrogen atom and the like, R 3b represents a hydrogen atom and the like, and R 3c represents a hydrogen atom and the like) and the like, Q represents a hydrogen atom and the like, and W 1 represents a nitrogen atom and the like, W 2 represents a nitrogen atom and the like]

  根据本发明，环融合杂环化合物或其药学上可接受的盐具有T型钙通道调节作用，例如，可用作治疗和/或预防瘙痒的药物。本发明提供了由以下一般式(I)或其药学上可接受的盐等表示的环融合杂环化合物，具有T型钙通道调节作用，可用作治疗和/或预防瘙痒等疾病的治疗和/或预防剂。其中，R1代表可选取代的低碳基等，R2代表可选取代的低碳基等，R3代表公式(II)：（其中，n代表0或1，R3a代表氢原子等，R3b代表氢原子等，R3c代表氢原子等）等，Q代表氢原子等，W1代表氮原子等，W2代表氮原子等。
• CONDENSED RING HETEROCYCLIC COMPOUND
  申请人：Kyowa Hakko Kirin Co., Ltd.

  公开号：EP2881394B1

  公开（公告）日：2018-03-21
• US9540366B2
  申请人：——

  公开号：US9540366B2

  公开（公告）日：2017-01-10