2-(6,7-difluoro-3,4-dihydro-8-(phenylsulfonyl)pyrido[2,3-b]pyrazin-1(2H)-yl)ethanamine | 1242144-66-6

• 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: 2-(6,7-difluoro-3,4-dihydro-8-(phenylsulfonyl)pyrido[2,3-b]pyrazin-1(2H)-yl)ethanamine
• CAS: 1242144-66-6
• 化学式: C₁₅H₁₆F₂N₄O₂S
• 分子量: 354.38
• InChiKey: GURLCEJSVIZKRK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.38
• 重原子数：
  24.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  88.32
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  2,3,5,6-四氟-4-苯磺酰基吡啶 、 二乙烯三胺 在 sodium carbonate 作用下， 以 乙腈 为溶剂， 反应 48.0h， 以52%的产率得到2-(6,7-difluoro-3,4-dihydro-8-(phenylsulfonyl)pyrido[2,3-b]pyrazin-1(2H)-yl)ethanamine
  参考文献：
  名称：

  Regiochemistry of nucleophilic substitution of 4-phenylsulfonyl tetrafluoropyridine with unequal bidentate nucleophiles

  摘要：

  The regiochemistry of nucleophilic substitution of 4-phenylsulfonyl tetrafluoropyridine with unequal bidentate nucleophiles was investigated. The first nucleophilic substitution occurs at the 2-position of the pyridine ring by nitrogen nucleophile site (secondary or primary amine) followed by intermolecular ring closure at the geometrically accessible 3-position of the pyridine ring (by S,O and N nucleophiles). From this investigation, difluorinated tetrahydropyrido[3,4-b][1,4]oxazine, thiazine and pyrazine scaffolds were synthesized very readily by a one-pot annelation reaction of 4-phenylsulfonyl tetrafluoropyridine with appropriate unequal bidentate nucleophiles. Crown Copyright (C) 2010 Published by Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2010.01.006