3-(5-Tert-butyl-2-methylfuran-3-yl)-3-oxo-2-(triphenyl-lambda5-phosphanylidene)propanenitrile | 908239-56-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-(5-Tert-butyl-2-methylfuran-3-yl)-3-oxo-2-(triphenyl-lambda5-phosphanylidene)propanenitrile
• 英文别名: 3-(5-tert-butyl-2-methylfuran-3-yl)-3-oxo-2-(triphenyl-λ5-phosphanylidene)propanenitrile
• CAS: 908239-56-5
• 化学式: C₃₀H₂₈NO₂P
• 分子量: 465.532
• InChiKey: LZJKTBJBIVZYPC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  54
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  甲醇 、 3-(5-Tert-butyl-2-methylfuran-3-yl)-3-oxo-2-(triphenyl-lambda5-phosphanylidene)propanenitrile 在 二甲基二环氧乙烷 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以92%的产率得到Methyl 2-(5-tert-butyl-2-methylfuran-3-yl)-2-oxoacetate
  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：

  2-methyl-5-(tert-butyl)furan-3-carboxylic acid ethyl ester 、 (三苯基膦)乙腈 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 反应 16.0h， 以81%的产率得到3-(5-Tert-butyl-2-methylfuran-3-yl)-3-oxo-2-(triphenyl-lambda5-phosphanylidene)propanenitrile
  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

• ‘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.