5-(Hydroxymethyl)furan-2-carbaldehyde

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Theoretical Study of the Conversion from 5-hydroxymethylfuran-2-carbaldehyde to 2-hydroxy-5-methylene-2,5-dihydro-furan-2- Carbaldehyde in the Levulinic Acid Formation Process

A novel reaction route was proposed from 5-hydroxymethylfuran-2carbaldehyde (HMFCA) to 2-hydroxy-5-methylene-2,5-dihydro-furan-2carbaldehyde (HMDFC) on the basis of the mechanism previously offered by Horvat, to account for the formation mechanism of levulinic acid. The probabilities of the two mechanisms were compared by Gaussian 03 software. It was found that the conversion from HMFCA to HMDF...

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5-(Hy­droxy­meth­yl)furan-2-carbaldehyde

The title compound (HMF), C(6)H(6)O(3), is one of the products of acid-catalyzed dehydration of high-fructose corn syrup, and has been shown to be toxic to honey bees. The compound was crystallized at 276 K, and it was found that the two independent mol-ecules in the asymmetric unit form an infinite O-H⋯O hydrogen-bonding chain that is linked into a three-dimensional network structure by weak i...

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The title compound, C(26)H(21)N(3)O(2), is an unsymmetrical tetra-dentate Schiff base ligand. The hydr-oxy group forms an intra-molecular O-H⋯N hydrogen bond with an adjacent N atom. An inter-molecular N-H⋯O hydrogen bond creates centrosymmetric dimers in the crystal packing.

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ژورنال

عنوان ژورنال: Acta Crystallographica Section E Structure Reports Online

سال: 2010

ISSN: 1600-5368

DOI: 10.1107/s1600536810031119