(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)methanol | 1087163-13-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (3-tert-butyl-1-methyl-1H-pyrazol-5-yl)methanol
• 英文别名: (5-tert-butyl-2-methylpyrazol-3-yl)methanol
• CAS: 1087163-13-0
• 化学式: C₉H₁₆N₂O
• 分子量: 168.239
• InChiKey: GMKBXOAFFZTCMA-UHFFFAOYSA-N

物化性质

• 沸点：
  270.5±25.0 °C(Predicted)
• 密度：
  1.02±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  38
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (3-tert-butyl-1-methyl-1H-pyrazol-5-yl)methanol 在 戴斯-马丁氧化剂 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 5-tert-butyl-2-methylpyrazole-3-carbaldehyde
  参考文献：
  名称：

  ‘Reverse’ α-ketoamide-based p38 MAP kinase inhibitors

  摘要：

  We have identified a second series of potent p38 inhibitors. As with our first generation series, these compounds are based on an alpha-ketoamide scaffold. The reversal of the ketoamide order, however, introduces more chemical flexibility and in addition results in improve potencies against p38. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.09.028
• 作为产物：
  描述：

  3-(叔丁基)-1-甲基-1H-吡唑-5-羧酸乙酯 在 二异丁基氢化铝 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 (3-tert-butyl-1-methyl-1H-pyrazol-5-yl)methanol
  参考文献：
  名称：

  ‘Reverse’ α-ketoamide-based p38 MAP kinase inhibitors

  摘要：

  We have identified a second series of potent p38 inhibitors. As with our first generation series, these compounds are based on an alpha-ketoamide scaffold. The reversal of the ketoamide order, however, introduces more chemical flexibility and in addition results in improve potencies against p38. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.09.028

文献信息

• Bifunctional heterocyclic compounds and methods of making and using same
  申请人：Wang Deping

  公开号：US20080119419A1

  公开（公告）日：2008-05-22

  The invention provides a family of bifunctional heterocyclic compounds useful as anti-infective, anti-proliferative, anti-inflammatory, and prokinetic agents. The invention also provides methods of making the bifunctional heterocyclic compounds, and methods of using such compounds as anti-infective, anti-proliferative agents, anti-inflammatory, and/or prokinetic agents.

  本发明提供了一系列双功能杂环化合物，可作为抗感染、抗增殖、抗炎和促动力药物使用。本发明还提供了制备双功能杂环化合物的方法，以及使用这些化合物作为抗感染、抗增殖剂、抗炎剂和/或促动力剂的方法。
• ‘Reverse’ α-ketoamide-based p38 MAP kinase inhibitors
  作者：Antonio Garrido Montalban、Erik Boman、Chau-Dung Chang、Susana Conde Ceide、Russell Dahl、David Dalesandro、Nancy G.J. Delaet、Eric Erb、Andrew Gibbs、Jeff Kahl、Linda Kessler、Jan Lundström、Stephen Miller、Hiroshi Nakanishi、Ed Roberts、Eddine Saiah、Robert Sullivan、Zhijun Wang、Christopher J. Larson

  DOI：10.1016/j.bmcl.2008.09.028

  日期：2008.10

  We have identified a second series of potent p38 inhibitors. As with our first generation series, these compounds are based on an alpha-ketoamide scaffold. The reversal of the ketoamide order, however, introduces more chemical flexibility and in addition results in improve potencies against p38. (c) 2008 Elsevier Ltd. All rights reserved.