(4R,12aS)-7-Bromo-3,4,6,8,12,12a-hexahydro-4-methyl-6,8-dioxo-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxylic Acid Ethyl Ester | 1246616-78-3

• 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: (4R,12aS)-7-Bromo-3,4,6,8,12,12a-hexahydro-4-methyl-6,8-dioxo-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxylic Acid Ethyl Ester
• 英文别名: ethyl (3S,7R)-11-bromo-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxylate
• CAS: 1246616-78-3
• 化学式: C₁₅H₁₇BrN₂O₅
• 分子量: 385.214
• InChiKey: RWUGXPIGPBWVDQ-SCZZXKLOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  76.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (4R,12aS)-7-Bromo-3,4,6,8,12,12a-hexahydro-4-methyl-6,8-dioxo-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxylic Acid Ethyl Ester 在 potassium trimethylsilonate 作用下， 以 乙二醇二甲醚 为溶剂， 反应 2.0h， 以43%的产率得到(4R,12aS)-3,4,6,8,12,12a-六氢-7-羟基-4-甲基-6,8-二氧代-2H-吡啶并[1',2':4,5]吡嗪并[2,1-b][1,3]恶嗪-9-羧酸
  参考文献：
  名称：

  METHOD OF PRODUCING PYRONE AND PYRIDONE DERIVATIVES

  摘要：

  本发明提供了一种吡喃衍生物和一种吡啶酮衍生物，它们是合成抗流感药物的新型中间体，以及其制备方法和使用方法。

  公开号：

  US20120022251A1
• 作为产物：
  描述：

  ethyl 2-[(dimethylamino)methylene]-3-oxobutanoate 在 N-溴代丁二酰亚胺(NBS) 、 硫酸 、 溶剂黄146 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 甲醇 、 甲酸 、 乙醇 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 77.33h， 生成 (4R,12aS)-7-Bromo-3,4,6,8,12,12a-hexahydro-4-methyl-6,8-dioxo-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxylic Acid Ethyl Ester
  参考文献：
  名称：

  METHOD OF PRODUCING PYRONE AND PYRIDONE DERIVATIVES

  摘要：

  本发明提供了一种吡喃衍生物和一种吡啶酮衍生物，它们是合成抗流感药物的新型中间体，以及其制备方法和使用方法。

  公开号：

  US20120022251A1

文献信息

• PROCESS FOR PREPARING COMPOUND HAVING HIV INTEGRASE INHIBITORY ACTIVITY
  申请人：Shionogi & Co., Ltd.

  公开号：EP2602260B1

  公开（公告）日：2016-09-28
• Process for Preparing Compound Having HIV Integrase Inhibitory Activity
  申请人：Sumino Yukihito

  公开号：US20140011995A1

  公开（公告）日：2014-01-09

  A process for preparing a compound represented by formula (Y1) or (Y2) [wherein R x is an optionally substituted carbocyclyl lower alkyl, or the like] or a salt thereof, using a novel process for preparing a pyridone derivative represented by formula (X4) [wherein R 1d is hydrogen, halogen, or the like; R 2d is hydrogen, a lower alkyl optionally substituted with substituent E, or the like; R 4d is a lower alkyl optionally substituted with substituent E, or the like; and R 6d is a lower alkyl group optionally substituted with substituent group E, or the like].
• METHOD FOR PRODUCING PYRONE AND PYRIDONE DERIVATIVES
  申请人：Shionogi & Co., Ltd.

  公开号：US20150031876A1

  公开（公告）日：2015-01-29

  The present invention provides a pyrone derivative and a pyridone derivative, which are novel intermediates for synthesizing an anti-influenza drug, a method of producing the same, and a method of using the same.
• Method of producing compounds having HIV integrase inhivitory activity
  申请人：Shionogi & Co., Ltd.

  公开号：US20150038702A1

  公开（公告）日：2015-02-05

  A process for preparing a compound represented by formula (Y1) or (Y2) wherein R x is an optionally substituted carbocyclyl lower alkyl, or the like or a salt thereof, using a novel process for preparing a pyridone derivative represented by formula (X4) wherein R 1d , R 2d , and R 4d are as defined herein.
• METHODS OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY
  申请人：Shionogi & Co., Ltd.

  公开号：US20160229870A1

  公开（公告）日：2016-08-11

  A process for preparing a compound represented by formula (Y1) or (Y2) wherein R X is an optionally substituted carbocyclyl lower alkyl, or the like or a salt thereof, using a novel process for preparing a pyridone derivative represented by formula (X4) wherein R 1d , R 2d , and R 4 are as defined herein.