Phenyl 7-bromo-4-methoxy-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyloxy]naphthalene-2-carboxylate | 1254949-88-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: Phenyl 7-bromo-4-methoxy-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyloxy]naphthalene-2-carboxylate
• CAS: 1254949-88-6
• 化学式: C₂₄H₂₃BrO₆
• 分子量: 487.347
• InChiKey: WBYQTGYOXSPWHB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  71.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (4aS,8aS,9S)-9-(二甲基氨基)-4a-[[叔丁基二甲基硅烷基]氧基]-8a,9-二氢-3-(苯基甲氧基)-萘并[2,3-d]异恶唑-4,5(4aH,8H)-二酮 、 Phenyl 7-bromo-4-methoxy-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyloxy]naphthalene-2-carboxylate 在 四甲基乙二胺 、 lithium diisopropyl amide 、 水 、 氯化铵 作用下， 以 四氢呋喃 、 hexanes 、 乙酸乙酯 为溶剂， 反应 3.33h， 以45%的产率得到(4aS,13aR,14aS,15S)-3-(benzyloxy)-9-bromo-4a-((tert-butyldimethylsilyl)oxy)-15-(dimethylamino)-5-hydroxy-12-methoxy-4,6-dioxo-4,4a,6,13,13a,14,14a,15-octahydropentaceno[2,3-d]isoxazol-7-yl tert-butyl carbonate
  参考文献：
  名称：

  [EN] PENTACYCLINE COMPOUNDS
  [FR] COMPOSÉS PENTACYCLINES

  摘要：

  公开号：

  WO2010132670A3
• 作为产物：
  描述：

  二碳酸二叔丁酯 、 Phenyl 7-bromo-1-hydroxy-4-methoxy-3-methylnaphthalene-2-carboxylate 在 N,N-dimethylaminopyridine 作用下， 以 二氯甲烷 为溶剂， 反应 0.42h， 生成 Phenyl 7-bromo-4-methoxy-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyloxy]naphthalene-2-carboxylate
  参考文献：
  名称：

  [EN] PENTACYCLINE COMPOUNDS
  [FR] COMPOSÉS PENTACYCLINES

  摘要：

  公开号：

  WO2010132670A3

文献信息

• TETRACYCLINE COMPOUNDS
  申请人：Tetraphase Pharmaceuticals, Inc.

  公开号：EP3461809A1

  公开（公告）日：2019-04-03

  The present invention is directed to a compound represented by Structural Formula (I): or a pharmaceutically acceptable salt thereof. The variables for Structural Formula (I) are defined herein. Also described is a pharmaceutical composition comprising the compound of Structural Formula (I), or a pharmaceutically acceptable salt thereof, and its therapeutic use.

  本发明涉及一种由结构式（I）表示的化合物： 或其药学上可接受的盐。结构式（I）的变量在此定义。还描述了一种包含结构式（I）化合物或其药学上可接受的盐的药物组合物及其治疗用途。
• Pentacycline Compounds
  申请人：Clark Roger B.

  公开号：US20120115819A1

  公开（公告）日：2012-05-10

  The present invention is directed to a compound represented by Structural Formula (I): or a pharmaceutically acceptable salt thereof. The variables for Structural Formula (I) are defined herein. Also described is a pharmaceutical composition comprising the compound of Structural Formula (I) and its therapeutic use.
• Tetracycline Compounds
  申请人：Tetraphase Pharmaceuticals, Inc.

  公开号：US20160107988A1

  公开（公告）日：2016-04-21

  The present invention is directed to a compound represented by Structural Formula (I): or a pharmaceutically acceptable salt thereof. The variables for Structural Formula (I) are defined herein. Also described is a pharmaceutical composition comprising the compound of Structural Formula (I), or a pharmaceutically acceptable salt thereof, and its therapeutic use.
• Tetracyline Compounds
  申请人：Tetraphase Pharmaceuticals, Inc.

  公开号：US20170305852A1

  公开（公告）日：2017-10-26

  The present invention is directed to a compound represented by Structural Formula (I): or a pharmaceutically acceptable salt thereof. The variables for Structural Formula (I) are defined herein. Also described is a pharmaceutical composition comprising the compound of Structural Formula (I), or a pharmaceutically acceptable salt thereof, and its therapeutic use.
• US9573895B2
  申请人：——

  公开号：US9573895B2

  公开（公告）日：2017-02-21