5-(2-furan-2-yl-2-oxo-ethyl)-1-methyl-1H-pyridin-2-one | 910911-70-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-(2-furan-2-yl-2-oxo-ethyl)-1-methyl-1H-pyridin-2-one
• 英文别名: 5-[2-(furan-2-yl)-2-oxoethyl]-1-methylpyridin-2-one
• CAS: 910911-70-5
• 化学式: C₁₂H₁₁NO₃
• 分子量: 217.224
• InChiKey: IILMOAOPCBRBDY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  50.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-(2-furan-2-yl-2-oxo-ethyl)-1-methyl-1H-pyridin-2-one 、 N,N-二甲基甲酰胺二甲基缩醛 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 生成 5-[2-dimethylamino-1-(furan-2-carbonyl)-vinyl]-1-methyl-1H-pyridin-2-one
  参考文献：
  名称：

  Crystals of 5-[2-amino-4-(2-furyl) pyrimidin-5-yl]-1-methylpyridin-2(1H)-one and processes for preparing the same

  摘要：

  在粉末X射线衍射中，具有在衍射角度（2θ±0.2°）为12.8°、18.1°和/或23.5°的5-[2-氨基-4-(2-呋喃基)嘧啶-5-基]-1-甲基吡啶-2(1H)-酮晶体对光具有良好的稳定性，因此适用于作为预防和治疗便秘等疾病的活性成分。

  公开号：

  US20060235225A1
• 作为产物：
  描述：

  1-furan-2-yl-2-(6-methoxy-pyridin-3-yl)-ethanone 、 碘甲烷 以 N-甲基吡咯烷酮 为溶剂， 反应 20.5h， 生成 5-(2-furan-2-yl-2-oxo-ethyl)-1-methyl-1H-pyridin-2-one
  参考文献：
  名称：

  SALT OF 5-[2-AMINO-4-(2-FURYL)PYRIMIDIN-5-YL]-1-METHYLPYRIDIN-2(1H)-ONE AND CRYSTAL THEREOF

  摘要：

  本发明提供了5-[2-氨基-4-(2-呋喃基)嘧啶-5-基]-1-甲基吡啶-2(1H)-酮的盐及其晶体。

  公开号：

  US20100179321A1

文献信息

• Crystals of 5-[2-amino-4-(2-furyl) pyrimidin-5-yl]-1-methylpyridin-2(1H)-one and processes for preparing the same
  申请人：Harada Hitoshi

  公开号：US20060235225A1

  公开（公告）日：2006-10-19

  Crystals of 5-[2-amino-4-(2-furyl)pyrimidin-5-yl]-1-methylpyridin-2(1H)-one having a diffraction peak at a diffraction angle (2θ±0.2°) of 12.8°, 18.1° and/or 23.5° in a powder X-ray diffraction are excellent in stability against light, therefore are suitable for an active ingredient of a preventing and therapeutic agent for diseases such as constipation.

  在粉末X射线衍射中，具有在衍射角度（2θ±0.2°）为12.8°、18.1°和/或23.5°的5-[2-氨基-4-(2-呋喃基)嘧啶-5-基]-1-甲基吡啶-2(1H)-酮晶体对光具有良好的稳定性，因此适用于作为预防和治疗便秘等疾病的活性成分。
• Crystalline and amorphous pyrimidine compounds and processes for preparing pyrimidine compounds
  申请人：Harada Hitoshi

  公开号：US20070078151A1

  公开（公告）日：2007-04-05

  Crystals of 5-[2-amino-4-(2-furyl)pyrimidin-5-yl]-1-methylpyridin-2(1H)-one having a diffraction peak at a diffraction angle (2θ±0.2°) of 9.7° and/or 21.9° in a powder X-ray diffraction are suitable for an active ingredient of a preventing and therapeutic agent for diseases such as constipation. Crystals of 5-[2-amino-4-(2-furyl)pyrimidin-5-yl]-1-methylpyridin-2(1H)-one hydrate and amorphous 5-[2-amino-4-(2-furyl)pyrimidin-5-yl]-1-methylpyridin-2(1H)-one hydrate are also suitable for an active ingredient of a preventing and therapeutic agent for diseases such as constipation.

  5-[2-氨基-4-(2-呋喃基)嘧啶-5-基]-1-甲基吡啶-2(1H)-酮的晶体，在粉末X射线衍射中，在衍射角度（2θ±0.2°）为9.7°和/或21.9°处具有衍射峰，适用于预防和治疗便秘等疾病的活性成分。5-[2-氨基-4-(2-呋喃基)嘧啶-5-基]-1-甲基吡啶-2(1H)-酮的水合物晶体和无定形水合物也适用于预防和治疗便秘等疾病的活性成分。
• NOVEL CRYSTALS OF PYRIMIDINE COMPOUND AND PROCESS FOR PRODUCING THE SAME
  申请人：HARADA Hitoshi

  公开号：US20090111986A1

  公开（公告）日：2009-04-30

  Crystals of 5-[2-amino-4-(2-furyl)pyrimidin-5-yl]-1-methylpyridin-2(1H)-one having a diffraction peak at a diffraction angle (2θ±0.2°) of 9.7° and/or 21.9° in a powder X-ray diffraction are suitable for an active ingredient of a preventing and therapeutic agent for diseases such as constipation. Crystals of 5-[2-amino-4-(2-furyl)pyrimidin-5-yl]-1-methylpyridin-2(1H)-one hydrate and amorphous 5-[2-amino-4-(2-furyl)pyrimidin-5-yl]-1-methylpyridin-2(1H)-one hydrate are also suitable for an active ingredient of a preventing and therapeutic agent for diseases such as constipation.

  在粉末X射线衍射中，在衍射角度（2θ±0.2°）为9.7°和/或21.9°处具有衍射峰的5- [2-氨基-4-（2-呋喃基）嘧啶-5-基] -1-甲基吡啶-2（1H）-酮晶体适用于预防和治疗便秘等疾病的活性成分。5- [2-氨基-4-（2-呋喃基）嘧啶-5-基] -1-甲基吡啶-2（1H）-酮水合物晶体和无定形5- [2-氨基-4-（2-呋喃基）嘧啶-5-基] -1-甲基吡啶-2（1H）-酮水合物也适用于预防和治疗便秘等疾病的活性成分。
• Crystals of pyrimidine compound and process for producing the same
  申请人：Eisai R&D Management Co., Ltd.

  公开号：US07767812B2

  公开（公告）日：2010-08-03

  Crystals of 5-[2-amino-4-(2-furyl)pyrimidin-5-yl]-1-methylpyridin-2(1H)-one having a diffraction peak at a diffraction angle (2θ±0.2°) of 9.7° and/or 21.9° in a powder X-ray diffraction are suitable for an active ingredient of a preventing and therapeutic agent for diseases such as constipation. Crystals of 5-[2-amino-4-(2-furyl)pyrimidin-5-yl]-1-methylpyridin-2(1H)-one hydrate and amorphous 5-[2-amino-4-(2-furyl)pyrimidin-5-yl]-1-methylpyridin-2(1H)-one hydrate are also suitable for an active ingredient of a preventing and therapeutic agent for diseases such as constipation.

  在粉末X射线衍射中，具有在衍射角（2θ±0.2°）为9.7°和/或21.9°处的衍射峰的5-[2-氨基-4-(2-呋喃基)嘧啶-5-基]-1-甲基吡啶-2（1H）-酮晶体适用于预防和治疗便秘等疾病的活性成分。5-[2-氨基-4-(2-呋喃基)嘧啶-5-基]-1-甲基吡啶-2（1H）-酮水合物晶体和非晶态5-[2-氨基-4-(2-呋喃基)嘧啶-5-基]-1-甲基吡啶-2（1H）-酮水合物也适用于预防和治疗便秘等疾病的活性成分。
• CRYSTAL OF 5-[2-AMINO-4-(2-FURYL)PYRIMIDIN-5-YL]-1- METHYLPYRIDIN-2(1H)-ONE AND PROCESS FOR PRODUCING THE SAME
  申请人：Eisai R&D Management Co., Ltd.

  公开号：EP1840128A1

  公开（公告）日：2007-10-03

  Crystals of 5-[2-amino-4-(2-furyl)pyrimidin-5-yl]-1-methylpyridin-2(1H)-one having a diffraction peak at a diffraction angle (2θ ± 0.2°) of 12.8°, 18.1° and/or 23.5° in a powder X-ray diffraction are excellent in stability against light, therefore are suitable for an active ingredient of a preventing and therapeutic agent for diseases such as constipation.

  5-[2-氨基-4-(2-呋喃基)嘧啶-5-基]-1-甲基吡啶-2(1H)-酮的衍射峰在粉末 X 射线衍射中的衍射角（2θ ± 0.2°）为 12.8°、18.1°和/或 23.5°，具有极佳的耐光稳定性，因此适合用作便秘等疾病的预防和治疗剂的活性成分。