4-chloro-8-(2,6-difluorophenyl)-2-{[2-(dimethylamino)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one | 1115184-19-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: 4-chloro-8-(2,6-difluorophenyl)-2-{[2-(dimethylamino)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one
• 英文别名: 4-Chloro-8-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethylamino]pyrido[2,3-d]pyrimidin-7-one；4-chloro-8-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethylamino]pyrido[2,3-d]pyrimidin-7-one
• CAS: 1115184-19-4
• 化学式: C₁₇H₁₆ClF₂N₅O
• 分子量: 379.797
• InChiKey: YSSORJVTLJMMOI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  61.4
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4-chloro-8-(2,6-difluorophenyl)-2-{[2-(dimethylamino)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one 、 苯硼酸 在 四(三苯基膦)钯 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 0.25h， 以81%的产率得到8-(2,6-difluorophenyl)-2-{[2-(dimethylamino)ethyl]amino}-4-phenylpyrido[2,3-d]pyrimidin-7(8H)-one
  参考文献：
  名称：

  Design and development of arrayable syntheses to accelerate SAR studies of pyridopyrimidinone and pyrimidopyrimidinone

  摘要：

  Chemoselectivity of chlorine versus methylthio (-SCH(3)), methylsulfinyl (-SOCH(3)), or methylsulfonyl [-S(O)(2)CH(3)] in either functionalization or substitution of pyridopyrimidinone and pyrimidopyrimidinone was studied. Utilization to prepare final targets for accelerated SAR studies via two-dimensional array syntheses has been demonstrated in both systems. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.11.014
• 作为产物：
  描述：

  4-chloro-2-methylsulfinyl-8-(2,6-difiuoro-phenyl)-8H-pyrido[2,3-d]pyrimidin-7-one 、 N,N-二甲基乙二胺 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 以75%的产率得到4-chloro-8-(2,6-difluorophenyl)-2-{[2-(dimethylamino)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one
  参考文献：
  名称：

  Design and development of arrayable syntheses to accelerate SAR studies of pyridopyrimidinone and pyrimidopyrimidinone

  摘要：

  Chemoselectivity of chlorine versus methylthio (-SCH(3)), methylsulfinyl (-SOCH(3)), or methylsulfonyl [-S(O)(2)CH(3)] in either functionalization or substitution of pyridopyrimidinone and pyrimidopyrimidinone was studied. Utilization to prepare final targets for accelerated SAR studies via two-dimensional array syntheses has been demonstrated in both systems. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.11.014

文献信息

• Design and development of arrayable syntheses to accelerate SAR studies of pyridopyrimidinone and pyrimidopyrimidinone
  作者：Zehong Wan、Hongxing Yan、Ralph F. Hall、Xichen Lin、Stefano Livia、Tomasz Respondek、Katherine L. Widdowson、Chongjie Zhu、James F. Callahan

  DOI：10.1016/j.tetlet.2008.11.014

  日期：2009.1

  Chemoselectivity of chlorine versus methylthio (-SCH(3)), methylsulfinyl (-SOCH(3)), or methylsulfonyl [-S(O)(2)CH(3)] in either functionalization or substitution of pyridopyrimidinone and pyrimidopyrimidinone was studied. Utilization to prepare final targets for accelerated SAR studies via two-dimensional array syntheses has been demonstrated in both systems. (C) 2008 Elsevier Ltd. All rights reserved.