2-​Ethyl-​2,​5-​dihydro-​4-​hydroxy-​3-​methyl-​5-​oxo-2-​furancarboxylic Acid Methyl Ester

CAS: 112026-00-3

Ref. TR-E677513

Product Information

• Name: 2-​Ethyl-​2,​5-​dihydro-​4-​hydroxy-​3-​methyl-​5-​oxo-2-​furancarboxylic Acid Methyl Ester
• Synonyms: Methyl 2-Ethyl-4-hydroxy-3-methyl-5-oxo-2,5-dihydrofuran-2-carboxylate
• Brand: TRC
• Description: Applications 2-​Ethyl-​2,​5-​dihydro-​4-​hydroxy-​3-​methyl-​5-​oxo-2-​furancarboxylic Acid Methyl Ester is an by-product intermediate formed during the synthesis of 4,5-Dimethyl-3-hydroxy-2(5H)-furanone (D473600), a fragrant compound that is a key indicator of maple syrup urine disease, a disorder affecting newborn children that is the result of its inability to properly metabolize Valine (V094205), Leucine (L330110) and Isoleucine (I820175). 4,5-Dimethyl-3-hydroxy-2(5H)-furanone is naturally found in fenugreek seeds, and is an odourant present in sherry wines.References Blank, I., et al.: Prog. Flav. Prec. Stud., No vol. given, 103 (1993); Guerra, P. & Yaylayan, V.: J. Agr. Food Chem., 59, 4699 (2011); Mackenzie, D. & Woolf, L.: Brit. Med. J., 1, 90 (1959); Podebrad, F., et al.: J. Inh. Metab. Dis., 22, 107 (1999)

Chemical properties

• Molecular weight: 200.19
• Formula: C₉H₁₂O₅
• Color/Form: Neat
• InChI: InChI=1S/C9H12O5/c1-4-9(8(12)13-3)5(2)6(10)7(11)14-9/h10H,4H2,1-3H3
• InChI key: InChIKey=RLIICWPUGZALKD-UHFFFAOYSA-N
• SMILES: CCC1(C(=O)OC)OC(=O)C(O)=C1C