4-formyl-5,5-dimethyltetrahydrofuran-2-one | 89898-38-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酯类
• 英文名称: 4-formyl-5,5-dimethyltetrahydrofuran-2-one
• 英文别名: 2,2-dimethyl-5-oxo-tetrahydro-furan-3-carbaldehyde；Terebinaldehyd；2,2-Dimethyl-5-oxooxolane-3-carbaldehyde；2,2-dimethyl-5-oxooxolane-3-carbaldehyde
• CAS: 89898-38-4
• 化学式: C₇H₁₀O₃
• 分子量: 142.155
• InChiKey: CDHXOZHHOODVCF-UHFFFAOYSA-N

物化性质

• 沸点：
  260.7±33.0 °C(Predicted)
• 密度：
  1.172±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  罗丹宁 、 4-formyl-5,5-dimethyltetrahydrofuran-2-one 在 sodium acetate 作用下， 以 溶剂黄146 为溶剂， 生成 5-(2,2-dimethyl-5-oxo-tetrahydro-furan-3-ylmethylene)-2-thioxo-thiazolidin-4-one
  参考文献：
  名称：

  Dallacker,F. et al., Justus Liebigs Annalen der Chemie, 1963, vol. 663, p. 58 - 66

  摘要：

  DOI：
• 作为产物：
  描述：

  4-(1'-hydroxy-1'-methylethyl)-5-isopropyloxytetrahydrofuran-2-one 在 硫酸 作用下， 以 乙腈 为溶剂， 生成 4-formyl-5,5-dimethyltetrahydrofuran-2-one
  参考文献：
  名称：

  Synthesis and phytotoxicity of 4,5 functionalized tetrahydrofuran-2-ones

  摘要：

  In this work we report a versatile synthesis of fourteen gamma-lactones all structurally related, nine of which are novel compounds, accomplished from the readily available furfural. The phytotoxic activity of the synthesized compounds was evaluated in vitro by the influence on the growth of wheat coleoptiles. The percentages of inhibition were mostly small and not statistically different from control after the third dilution (100 mu mol L-1). In general, alpha,beta-unsaturated lactones presented better activities than the saturated ones. The most active compounds presented 51, 68 and 76% of inhibition in 1000 mu mol L-1. The results indicate that regardless of saturation, the presence of the gamma-lactone moiety is important for the bioactivity, but their presence has no implications with potency.

  DOI：

  10.1590/s0103-50532012001200016

文献信息

• Antithrombotic Diamides
  申请人：Franciskovich Jeffry Bernard

  公开号：US20090062271A1

  公开（公告）日：2009-03-05

  This application relates to a compound of formula I (or a pharmaceutically acceptable salt of the compound) as defined herein, pharmaceutical compositions thereof, and its use as an inhibitor of factor Xa and/or thrombin, as well as a process for its preparation and intermediates therefor.

  本申请涉及公式I化合物（或其药学上可接受的盐），其制药组合物，以及其作为Xa因子和/或凝血酶抑制剂的用途，以及其制备过程和中间体。
• ANTITHROMBOTIC DIAMIDES
  申请人：ELI LILLY AND COMPANY

  公开号：EP1819693A1

  公开（公告）日：2007-08-22
• US7666866B2
  申请人：——

  公开号：US7666866B2

  公开（公告）日：2010-02-23
• [EN] ANTITHROMBOTIC DIAMIDES<br/>[FR] DIAMIDES ANTITHROMBOTIQUES
  申请人：LILLY CO ELI

  公开号：WO2006057868A1

  公开（公告）日：2006-06-01

  [EN] This application relates to a compound of formula (I) (or a pharmaceutically acceptable salt of the compound) as defined herein, pharmaceutical compositions thereof, and its use as an inhibitor of factor Xa and/or thrombin, as well as a process for its preparation and intermediates therefor.
  [FR] L'invention concerne un composé représenté par la formule (I) (ou un sel pharmaceutiquement acceptable de ce composé) tel que défini dans le descriptif, des compositions pharmaceutiques de ce composé, et l'utilisation de ce composé en tant qu'inhibiteur du facteur Xa et/ou de la thrombine, ainsi qu'un procédé permettant de préparer ce composé, et des intermédiaires de celui-ci.