3-Bromo-4-phenyl-4H-pyridine-1-carboxylic acid phenyl ester | 88345-88-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 3-Bromo-4-phenyl-4H-pyridine-1-carboxylic acid phenyl ester
• 英文别名: Phenyl 3-bromo-4-phenylpyridine-1(4H)-carboxylate；phenyl 3-bromo-4-phenyl-4H-pyridine-1-carboxylate
• CAS: 88345-88-4
• 化学式: C₁₈H₁₄BrNO₂
• 分子量: 356.219
• InChiKey: NITZFASQYMLPCZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-Bromo-4-phenyl-4H-pyridine-1-carboxylic acid phenyl ester 、 对苯醌 在 高氯酸 作用下， 以 1,4-二氧六环 为溶剂， 生成 3-溴-4-苯基吡啶 、 3-Bromo-4-phenyl-benzo[4,5]furo[2,3-b]pyridin-6-ol
  参考文献：
  名称：

  Novel CDK inhibition profiles of structurally varied 1-aza-9-oxafluorenes

  摘要：

  A series of 1-aza-9-oxafluorenes with functionally varied 3-substituents have been prepared from N-phenoxycarbonyl-4phenyl-1,4-dihydropyridines and p-benzoquinone and biologically evaluated as inhibitors of various cyclin-dependant kinases. The absence of a 3-hydrogen bond acceptor function leads to a complete loss of inhibitory activity. Differing hydrogen bond acceptor functions surprisingly cause significant shifts in the selectivity of inhibition profiles. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.10.091
• 作为产物：
  描述：

  氯甲酸苯酯 以 四氢呋喃 为溶剂， 反应 0.5h， 生成 3-Bromo-4-phenyl-4H-pyridine-1-carboxylic acid phenyl ester
  参考文献：
  名称：

  Comins, Daniel L.; Mantlo, Nathan B., Journal of Heterocyclic Chemistry, 1983, vol. 20, p. 1239 - 1243

  摘要：

  DOI：

文献信息

• Comins, Daniel L.; Mantlo, Nathan B., Journal of Heterocyclic Chemistry, 1983, vol. 20, p. 1239 - 1243
  作者：Comins, Daniel L.、Mantlo, Nathan B.

  DOI：——

  日期：——
• Novel CDK inhibition profiles of structurally varied 1-aza-9-oxafluorenes
  作者：Burkhardt Voigt、Laurent Meijer、Olivier Lozach、Christoph Schächtele、Frank Totzke、Andreas Hilgeroth

  DOI：10.1016/j.bmcl.2004.10.091

  日期：2005.2

  A series of 1-aza-9-oxafluorenes with functionally varied 3-substituents have been prepared from N-phenoxycarbonyl-4phenyl-1,4-dihydropyridines and p-benzoquinone and biologically evaluated as inhibitors of various cyclin-dependant kinases. The absence of a 3-hydrogen bond acceptor function leads to a complete loss of inhibitory activity. Differing hydrogen bond acceptor functions surprisingly cause significant shifts in the selectivity of inhibition profiles. (C) 2004 Elsevier Ltd. All rights reserved.