乙基1,3-二恶烷-2-羧酸酯 | 90392-05-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二恶烷
• 中文名称: 乙基1,3-二恶烷-2-羧酸酯
• 英文名称: 1,3-Dioxane-2-carboxylic acid ethyl ester
• 英文别名: ethyl 1,3-dioxane-2-carboxylate
• CAS: 90392-05-5
• 化学式: C₇H₁₂O₄
• 分子量: 160.17
• InChiKey: XGUQXVJIBJLCQY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  乙基1,3-二恶烷-2-羧酸酯 在 sodium hydroxide 、 水 作用下， 以 乙醇 为溶剂， 生成 1,3-dioxane-2-carboxylic acid
  参考文献：
  名称：

  Direct anti-selective asymmetric hydrogenation of α-amino-β-keto esters through dynamic kinetic resolution using Ru-axially chiral phosphine catalysts—stereoselective synthesis of anti-β-hydroxy-α-amino acids

  摘要：

  The asymmetric hydrogenation of alpha-amino-beta-keto esters using ruthenium (Ru) anti-selectively proceeds via a dynamic kinetic resolution to afford anti-beta-hydroxy-alpha-amino acids with high enantiomeric purities, which are important chiral building blocks for the synthesis of medicines and natural products. A mechanistic investigation has revealed that the Ru-catalyzed asymmetric hydrogenation takes place via the hydrogenation of the double bond in the enol tautomer of the substrate. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2008.12.024
• 作为产物：
  描述：

  2,2-二乙氧基乙酸乙酯 、 1,3-丙二醇 在 三氟化硼乙醚 作用下， 以 氯仿 为溶剂， 反应 0.5h， 生成 乙基1,3-二恶烷-2-羧酸酯
  参考文献：
  名称：

  Direct anti-selective asymmetric hydrogenation of α-amino-β-keto esters through dynamic kinetic resolution using Ru-axially chiral phosphine catalysts—stereoselective synthesis of anti-β-hydroxy-α-amino acids

  摘要：

  The asymmetric hydrogenation of alpha-amino-beta-keto esters using ruthenium (Ru) anti-selectively proceeds via a dynamic kinetic resolution to afford anti-beta-hydroxy-alpha-amino acids with high enantiomeric purities, which are important chiral building blocks for the synthesis of medicines and natural products. A mechanistic investigation has revealed that the Ru-catalyzed asymmetric hydrogenation takes place via the hydrogenation of the double bond in the enol tautomer of the substrate. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2008.12.024

文献信息

• Imidazoquinoline Compounds
  申请人：Valiante Nicholas

  公开号：US20080213308A1

  公开（公告）日：2008-09-04

  The invention provides novel compositions comprising imidazoquinoline compounds. Also provided are methods of administering the compositions in an effective amount to enhance the immune response of a subject. Further provided are novel compositions and methods of administering the compositions in combination with (an)other agent(s).

  这项发明提供了包含咪唑喹啉化合物的新型组合物。还提供了将这些组合物以有效剂量给予受试者以增强免疫应答的方法。此外，还提供了新型组合物和将这些组合物与其他药剂组合给予的方法。
• IMIDAZOQUINOLINE COMPOUNDS
  申请人：VALIANTE Nicholas

  公开号：US20110217323A1

  公开（公告）日：2011-09-08

  The invention provides novel compositions comprising imidazoquinoline compounds. Also provided are methods of administering the compositions in an effective amount to enhance the immune response of a subject. Further provided are novel compositions and methods of administering the compositions in combination with (an) other agent(s).
• US5260310A
  申请人：——

  公开号：US5260310A

  公开（公告）日：1993-11-09
• US5376674A
  申请人：——

  公开号：US5376674A

  公开（公告）日：1994-12-27
• US5466708A
  申请人：——

  公开号：US5466708A

  公开（公告）日：1995-11-14