1-(tetrahydrofuran-2-yl)butan-2-one | 1183353-23-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧唑烯
• 英文名称: 1-(tetrahydrofuran-2-yl)butan-2-one
• 英文别名: 1-(Oxolan-2-yl)butan-2-one
• CAS: 1183353-23-2
• 化学式: C₈H₁₄O₂
• mdl: MFCD12153329
• 分子量: 142.198
• InChiKey: MTMPGCVZHHGSQV-UHFFFAOYSA-N

物化性质

• 沸点：
  214.0±13.0 °C(Predicted)
• 密度：
  0.964±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.875
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-羟基四氢呋喃 、 丁酮 在 (2SR,4RS)-4-(tert-butyldiphenylsilyloxy)pyrrolidine-2-carboxylic acid 、 1-(3,5-bis(trifluoromethyl)phenyl)-3-(3-(dimethylamino)propyl) thiourea 作用下， 以 1,4-二氧六环 为溶剂， 生成 1-(tetrahydrofuran-2-yl)butan-2-one
  参考文献：
  名称：

  Thiourea/Proline Derivative-Catalyzed Synthesis of Tetrahydrofuran Derivatives: A Mechanistic View

  摘要：

  A thiourea/proline derivative-catalyzed synthesis of linear a-substituted tetrahydrofuran/pyran derivatives starting with lactol substrates is presented. This study demonstrates the utility and potential complications of using (thio)urea/proline cocatalysis as each of these catalysts is necessary to provide the observed reactivity, but a time-dependent decrease in enantioselectivity is observed. New mechanistic insights into (thio)urea/proline cocatalysis are presented.

  DOI：

  10.1021/jo200838v

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

  公开号：WO2013106520A1

  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.
• Thiourea/Proline Derivative-Catalyzed Synthesis of Tetrahydrofuran Derivatives: A Mechanistic View
  作者：Suzanne M. Opalka、Jeremy L. Steinbacher、Brandon A. Lambiris、D. Tyler McQuade

  DOI：10.1021/jo200838v

  日期：2011.8.19

  A thiourea/proline derivative-catalyzed synthesis of linear a-substituted tetrahydrofuran/pyran derivatives starting with lactol substrates is presented. This study demonstrates the utility and potential complications of using (thio)urea/proline cocatalysis as each of these catalysts is necessary to provide the observed reactivity, but a time-dependent decrease in enantioselectivity is observed. New mechanistic insights into (thio)urea/proline cocatalysis are presented.