2-Hydroxymethyl-4,5,6,7-tetrahydro-benzimidazol | 26751-30-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-Hydroxymethyl-4,5,6,7-tetrahydro-benzimidazol
• 英文别名: (4,5,6,7-tetrahydro-1H-benzoimidazol-2-yl)-methanol；(4,5,6,7-tetrahydro-1H-benzoimidazol-2-yl)-methanol；4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethanol
• CAS: 26751-30-4
• 化学式: C₈H₁₂N₂O
• 分子量: 152.196
• InChiKey: KQZJPHJQVRTCHQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  48.9
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-Hydroxymethyl-4,5,6,7-tetrahydro-benzimidazol 在 甲醇 、 偶氮二甲酸二异丙酯 、 sodium hydride 、 potassium carbonate 、 三苯基膦 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 生成 1-Cyclopropyl-3-[[1-(4-hydroxybutyl)-4,5,6,7-tetrahydrobenzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
  参考文献：
  名称：

  Non-benzimidazole containing inhibitors of respiratory syncytial virus

  摘要：

  Several non-benzimidazole containing inhibitors of respiratory syncytial virus are described. Core template modification, analysis of antiviral activity, physicochemistry and optimisation of properties led to the thiazole-imidazole 13, that showed a good potency and pharmacokinetic profile in the rat. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.11.062
• 作为产物：
  描述：

  2-羟甲基苯并咪唑 在 rhodium contaminated with carbon 、 氢气 作用下， 以 甲醇 为溶剂， 以40%的产率得到2-Hydroxymethyl-4,5,6,7-tetrahydro-benzimidazol
  参考文献：
  名称：

  Non-benzimidazole containing inhibitors of respiratory syncytial virus

  摘要：

  Several non-benzimidazole containing inhibitors of respiratory syncytial virus are described. Core template modification, analysis of antiviral activity, physicochemistry and optimisation of properties led to the thiazole-imidazole 13, that showed a good potency and pharmacokinetic profile in the rat. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.11.062

文献信息

• KUZMIERKIEWICZ W., ACTA POL. PHARM., 43,(1986) N 3, 221-226
  作者：KUZMIERKIEWICZ W.

  DOI：——

  日期：——
• Non-benzimidazole containing inhibitors of respiratory syncytial virus
  作者：David C. Pryde、Thien-Duc Tran、Iain Gardner、Helen Bright、Paul Stupple、Sebastien Galan、Liam Alsop、Lesa Watson、Donald S. Middleton、Satish Dayal、Michelle Platts、Edward J. Murray、Tanya Parkinson、Robert Webster

  DOI：10.1016/j.bmcl.2012.11.062

  日期：2013.2

  Several non-benzimidazole containing inhibitors of respiratory syncytial virus are described. Core template modification, analysis of antiviral activity, physicochemistry and optimisation of properties led to the thiazole-imidazole 13, that showed a good potency and pharmacokinetic profile in the rat. (c) 2012 Elsevier Ltd. All rights reserved.