diethyl tetrahydro-2H-pyran-2,2-dicarboxylate | 73690-99-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃
• 英文名称: diethyl tetrahydro-2H-pyran-2,2-dicarboxylate
• 英文别名: diethyl oxane-2,2-dicarboxylate
• CAS: 73690-99-0
• 化学式: C₁₁H₁₈O₅
• 分子量: 230.261
• InChiKey: RNQHWRAYLVPEGV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  diethyl tetrahydro-2H-pyran-2,2-dicarboxylate 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 生成 (tetrahydro-2H-pyran-2,2-diyl)dimethanol
  参考文献：
  名称：

  Carbon-13 NMR spectra of saturated heterocycles: XI—Tetrahydropyrans (oxanes)

  摘要：

  AbstractThe 13C NMR spectra of 62 oxanes (tetrahydropyrans) with and without methyl substituents at various ring positions, some of them bearing in addition (or instead) ethyl, vinyl, ethynyl, carbomethoxy and methylol substituents at C‐2, have been recorded, and the 294 resulting chemical shifts have been correlated by multiple linear regression analysis. Axial and equatorial α‐, β‐, γ‐, δ‐, gem‐ and vic‐parameters for shifts caused by methyl groups at all ring positions, and similar parameters for Et,—CHCH2,—CCH, CO2Me and CH2OH groups at C‐2, are reported. Standard deviations of the parameters are, in most cases, within 0.3 ppm and the agreement of calculated and experimental shifts is excellent. This is probably the largest parameter set of this type extant. 13C NMR spectra of a number of additional substituted tetrahydropyrans, and of 3,6‐dihydro‐2H‐pyrans and 3,4‐dihydro‐2H‐pyrans, are tabulated and discussed.

  DOI：

  10.1002/omr.1270210205
• 作为产物：
  描述：

  3,6-二氢-2H-吡喃-2,2-二羧酸 2,2-二乙酯 在 钯 作用下， 以 乙酸乙酯 为溶剂， 反应 3.0h， 以to afford diethyl tetrahydro-2H-pyran-2,2-dicarboxylate as a clear oil的产率得到diethyl tetrahydro-2H-pyran-2,2-dicarboxylate
  参考文献：
  名称：

  Hepatitis C Virus Inhibitors

  摘要：

  本披露一般涉及抗病毒化合物，更具体地涉及抑制由丙型肝炎病毒（HCV）编码的NS5A蛋白质功能的化合物组合，包含这种组合的组合物，以及抑制NS5A蛋白质功能的方法。

  公开号：

  US20130183269A1

文献信息

• [EN] COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS<br/>[FR] ASSOCIATIONS D'INHIBITEURS DU VIRUS DE L'HÉPATITE C
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2015005901A1

  公开（公告）日：2015-01-15

  The present disclosure is generally directed to antiviral compounds, and more specifically directed to combinations of compounds which can inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV), compositions comprising such combinations, and methods for inhibiting the function of the NS5A protein.

  本公开涉及抗病毒化合物，更具体地涉及能够抑制由丙型肝炎病毒（HCV）编码的NS5A蛋白功能的化合物组合，包括这种组合的组合物，以及抑制NS5A蛋白功能的方法。
• Hepatitis C Virus Inhibitors
  申请人：Bristol-Myers Squibb Company

  公开号：US20130183269A1

  公开（公告）日：2013-07-18

  The present disclosure is generally directed to antiviral compounds, and more specifically directed to combinations of compounds which can inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV), compositions comprising such combinations, and methods for inhibiting the function of the NS5A protein.

  本公开涉及抗病毒化合物，更具体地涉及能够抑制丙型肝炎病毒（HCV）编码的NS5A蛋白功能的化合物组合，包括这种组合的组成物，以及抑制NS5A蛋白功能的方法。
• HEPATITIS C VIRUS INHIBITORS
  申请人：BRISTOL-MAYERS SQUIBB COMPANY

  公开号：US20160199355A1

  公开（公告）日：2016-07-14

  The present disclosure is generally directed to antiviral compounds, and more specifically directed to combinations of compounds which can inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV), compositions comprising such combinations, and methods for inhibiting the function of the NS5A protein.

  本公开涉及抗病毒化合物，更具体地涉及能够抑制丙型肝炎病毒（HCV）编码的NS5A蛋白功能的化合物组合、包含这种组合的组合物，以及抑制NS5A蛋白功能的方法。
• Hepatitis C virus inhibitors
  申请人：Bristol-Myers Squibb Company

  公开号：US09326973B2

  公开（公告）日：2016-05-03

  The present disclosure is generally directed to antiviral compounds, and more specifically directed to combinations of compounds which can inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV), compositions comprising such combinations, and methods for inhibiting the function of the NS5A protein.

  本公开涉及抗病毒化合物，更具体地涉及抑制丙型肝炎病毒（HCV）编码的NS5A蛋白功能的化合物组合，包含这种组合的组合物，以及抑制NS5A蛋白功能的方法。
• Combinations of Hepatitis C Virus Inhibitors
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20160158200A1

  公开（公告）日：2016-06-09

  The present disclosure is generally directed to antiviral compounds, and more specifically directed to combinations of compounds which can inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV), compositions comprising such combinations, and methods for inhibiting the function of the NS5A protein.

  本公开涉及抗病毒化合物，更具体地涉及能够抑制丙型肝炎病毒（HCV）编码的NS5A蛋白功能的化合物组合，包含这种组合的组合物，以及抑制NS5A蛋白功能的方法。

表征谱图