ethyl 3-oxo-3-(6-methoxycarbonyl-2-pyridyl) propionate | 288258-18-4

• 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: ethyl 3-oxo-3-(6-methoxycarbonyl-2-pyridyl) propionate
• 英文别名: Ethyl 3-oxo-3-(6-methoxycarbonyl-2-pyridyl)propionate；methyl 6-(3-ethoxy-3-oxopropanoyl)pyridine-2-carboxylate
• CAS: 288258-18-4
• 化学式: C₁₂H₁₃NO₅
• 分子量: 251.239
• InChiKey: HITYPQSVVUXZJK-UHFFFAOYSA-N

物化性质

• 沸点：
  380.7±32.0 °C(Predicted)
• 密度：
  1.225±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  82.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  ethyl 3-oxo-3-(6-methoxycarbonyl-2-pyridyl) propionate 在 磺酰氯 作用下， 以 水 、 乙酸乙酯 为溶剂， 反应 4.5h， 生成 6-(氯乙酰基)-2-吡啶羧酸
  参考文献：
  名称：

  WO2007/119496

  摘要：

  公开号：

文献信息

• Tetomilast Polymorphs
  申请人：Aoki Satoshi

  公开号：US20100222590A1

  公开（公告）日：2010-09-02

  The present invention provides a tetomilast crystal that is industrially easily produced in a large volume. (1) a tetomilast hydrate crystal having a powder X-ray diffraction spectrum that is substantially the same as the powder X-ray diffraction spectrum shown in FIG. 2 ; (2) an anhydrous tetomilast type A crystal having a powder X-ray diffraction spectrum that is substantially the same as the powder X-ray diffraction spectrum shown in FIG. 4 ; (3) an anhydrous tetomilast type C crystal having a powder X-ray diffraction spectrum that is substantially the same as the powder X-ray diffraction spectrum shown in FIG. 8 ; (4) a tetomilast acetonitrile solvate crystal having a powder X-ray diffraction spectrum that is substantially the same as the powder X-ray diffraction spectrum shown in FIG. 10 ; and (5) a mixture consisting of the above anhydrous tetomilast type A crystal and an anhydrous tetomilast type B crystal. These crystals are stable towards heat and moisture, and are also excellent in terms of the disintegration property and dissolution property of tablets. Accordingly, these crystals are preferably used as pharmaceutical compositions.

  本发明提供一种工业上易于大量生产的tetomilast晶体。(1) 一种tetomilast水合物晶体，其粉末X射线衍射谱与图2所示的粉末X射线衍射谱基本相同；(2) 一种无水tetomilast A型晶体，其粉末X射线衍射谱与图4所示的粉末X射线衍射谱基本相同；(3) 一种无水tetomilast C型晶体，其粉末X射线衍射谱与图8所示的粉末X射线衍射谱基本相同；(4) 一种tetomilast乙腈溶剂晶体，其粉末X射线衍射谱与图10所示的粉末X射线衍射谱基本相同；以及(5) 由上述无水tetomilast A型晶体和无水tetomilast B型晶体组成的混合物。这些晶体对热和湿度稳定，并且在片剂的分散性和溶解性方面也表现出色。因此，这些晶体最好用作制药组合物。
• Tetomilast polymorphs
  申请人：Aoki Satoshi

  公开号：US08501949B2

  公开（公告）日：2013-08-06

  The present invention provides a tetomilast crystal that is industrially easily produced in a large volume. (1) a tetomilast hydrate crystal having a powder X-ray diffraction spectrum that is substantially the same as the powder X-ray diffraction spectrum shown in FIG. 2; (2) an anhydrous tetomilast type A crystal having a powder X-ray diffraction spectrum that is substantially the same as the powder X-ray diffraction spectrum shown in FIG. 4; (3) an anhydrous tetomilast type C crystal having a powder X-ray diffraction spectrum that is substantially the same as the powder X-ray diffraction spectrum shown in FIG. 8; (4) a tetomilast acetonitrile solvate crystal having a powder X-ray diffraction spectrum that is substantially the same as the powder X-ray diffraction spectrum shown in FIG. 10; and (5) a mixture consisting of the above anhydrous tetomilast type A crystal and an anhydrous tetomilast type B crystal. These crystals are stable towards heat and moisture, and are also excellent in terms of the disintegration property and dissolution property of tablets. Accordingly, these crystals are preferably used as pharmaceutical compositions.

  本发明提供了一种工业化易于大规模生产的Tetomilast晶体。(1)一种Tetomilast水合物晶体，其具有与图2所示的粉末X射线衍射谱基本相同的粉末X射线衍射谱; (2)一种无水Tetomilast A型晶体，其具有与图4所示的粉末X射线衍射谱基本相同的粉末X射线衍射谱; (3)一种无水Tetomilast C型晶体，其具有与图8所示的粉末X射线衍射谱基本相同的粉末X射线衍射谱; (4)一种Tetomilast乙腈溶剂晶体，其具有与图10所示的粉末X射线衍射谱基本相同的粉末X射线衍射谱;以及(5)由上述无水Tetomilast A型晶体和无水Tetomilast B型晶体混合而成的混合物。这些晶体对热和湿度稳定，并且在片剂的分散性和溶解性方面也非常优秀。因此，这些晶体最好用作药物组合物。
• TETOMILAST POLYMORPHS
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：EP1999128B1

  公开（公告）日：2010-08-04
• Tetomilast polymorph
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：EP2206711B1

  公开（公告）日：2012-08-22
• US8501949B2
  申请人：——

  公开号：US8501949B2

  公开（公告）日：2013-08-06