(2S)-5-(hydroxymethyl)-2-(1H-imidazol-1-ium-2-yl)-3H-furan-2-ol;acetate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氢呋喃
• 英文名称: (2S)-5-(hydroxymethyl)-2-(1H-imidazol-1-ium-2-yl)-3H-furan-2-ol;acetate
• 化学式: C10H14N2O5
• 分子量: 242.23
• InChiKey: BLTVMUOOFBBQKI-QRPNPIFTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.83
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  119
• 氢给体数：
  3
• 氢受体数：
  6

文献信息

• [EN] BIOREFINING COMPOUNDS AND ORGANOCATALYTIC UPGRADING METHODS<br/>[FR] BIORAFFINAGE DE COMPOSÉS ET PROCÉDÉS DE VALORISATION PAR ORGANOCATALYSE
  申请人：CHEN EUGENE

  公开号：WO2014008301A1

  公开（公告）日：2014-01-09

  The invention provides new methods for the direct umpolung self-condensation of 5-hydroxymethylfurfural (HMF) by organocatalysis, thereby upgrading the readily available substrate into 5,5'-di(hydroxymethyl) furoin (DHMF). While many efficient catalyst systems have been developed for conversion of plant biomass resources into HMF, the invention now provides methods to convert such nonfood biomass directly into DHMF by a simple process as described herein. The invention also provides highly effective new methods for upgrading other biomass furaldehydes and related compound to liquid fuels. The methods include the organocatalytic self-condensation (umpolung) of biomass furaldehydes into (C8-C12)furoin intermediates, followed by hydrogenation, etherification or esterification into oxygenated biodiesel, or hydrodeoxygenation by metal-acid tandem catalysis into premium hydrocarbon fuels.

  该发明提供了一种新的方法，通过有机催化实现5-羟甲基糠醛（HMF）的直接反极化自缩合，从而将易得的底物升级为5,5'-二(羟甲基)呋喃（DHMF）。尽管已经开发了许多高效的催化剂系统将植物生物质资源转化为HMF，但该发明现在提供了将这种非食用生物质直接转化为DHMF的方法，通过如下所述的简单过程。该发明还提供了一种高效的新方法，用于将其他生物质呋喃醛和相关化合物升级为液体燃料。这些方法包括有机催化的生物质呋喃醛自缩合（反极化）成为（C8-C12）呋喃中间体，随后通过加氢、醚化或酯化制备含氧生物柴油，或通过金属酸串联催化的脱氧制备高级烃燃料。
• BIOREFINING COMPOUNDS AND ORGANOCATALYTIC UPGRADING METHODS
  申请人：Colorado State University Research Foundation

  公开号：US20140007497A1

  公开（公告）日：2014-01-09

  The invention provides new methods for the direct umpolung self-condensation of 5-hydroxymethylfurfural (HMF) by organocatalysis, thereby upgrading the readily available substrate into 5,5′-di(hydroxymethyl)furoin (DHMF). While many efficient catalyst systems have been developed for conversion of plant biomass resources into HMF, the invention now provides methods to convert such nonfood biomass directly into DHMF by a simple process as described herein. The invention also provides highly effective new methods for upgrading other biomass furaldehydes and related compound to liquid fuels. The methods include the organocatalytic self-condensation (umpolung) of biomass furaldehydes into (C 8 -C 12 )furoin intermediates, followed by hydrogenation, etherification or esterification into oxygenated biodiesel, or hydrodeoxygenation by metal-acid tandem catalysis into premium hydrocarbon fuels.

  本发明提供了一种新的方法，通过有机催化直接进行5-羟甲基糠醛（HMF）的自反极化自缩合，将易得到的底物升级为5,5'-二（羟甲基）呋喃（DHMF）。虽然已经开发出许多有效的催化剂体系将植物生物质资源转化为HMF，但本发明现在提供了将这种非食用生物质直接转化为DHMF的方法，这是通过本文所描述的简单过程实现的。本发明还提供了将其他生物质呋醛和相关化合物升级为液体燃料的高效新方法。这些方法包括有机催化的生物质呋醛自缩合（反极化）成（C8-C12）呋喃中间体，然后通过氢化、醚化或酯化转化为含氧生物柴油，或通过金属-酸串联催化剂的脱氧反应转化为高品质烃类燃料。
• US9469626B2
  申请人：——

  公开号：US9469626B2

  公开（公告）日：2016-10-18
• US9828354B2
  申请人：——

  公开号：US9828354B2

  公开（公告）日：2017-11-28