5-Hydroxymethyl-furan-2-carboxylic acid

• CAS: 6338-41-6
• Catalog Number: ACM6338416
• Category: Furans
• Molecular Weight: 142.11
• Molecular Formula: C6H6O4
• Synonyms: 5-(Hydroxymethyl)-2-furancarboxylate
• IUPAC Name: 5-(Hydroxymethyl)furan-2-carboxylic acid
• Canonical SMILES: C1=C(OC(=C1)C(=O)O)CO
• InChI: InChI=1S/C6H6O4/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7H,3H2,(H,8,9)
• InChI Key: PCSKKIUURRTAEM-UHFFFAOYSA-N
• Boiling Point: 349.4±32.0 °C
• Melting Point: 247 °C
• Flash Point: 165.1 °C
• Density: 1.441±0.06 g/cm³
• Appearance: Solid
• Storage: -20 °C
• Complexity: 134
• Exact Mass: 142.02660867
• MDL Number: MFCD03274472
• Monoisotopic Mass: 142.02660867
• pKa: 3.11±0.10(Predicted)
• Refractive Index: 1.561
• Size: 1g,5g,25g
• Topological Polar Surface Area: 70.7 Ų

Synthetic Use

Upstream Synthesis Route 1

• 2280-44-6
• 657-27-2

• 88-14-2
• 6338-41-6
• 34371-14-7

Reference: [1] Acta Chemica Scandinavica, Series B: Organic Chemistry and Biochemistry, 1984, vol. 38, # 8, p. 689 - 694

Upstream Synthesis Route 2

• 108153-38-4

• 6338-41-6

Reference: [1]Justus Liebigs Annalen der Chemie,1953,vol. 580,p. 169,187

Downstream Synthesis Route 1

• 6338-41-6

• 2528-00-9

Reference: [1] Journal of the Chemical Society, 1944, p. 667,670

Downstream Synthesis Route 2

• 6338-41-6
• 64-17-5

• 76448-73-2

Reference: [1]Journal of the Chemical Society,1944,p. 667,670
[2]Bioorganic and Medicinal Chemistry Letters,2001,vol. 11,p. 1313 - 1316

* For details of the synthesis route, please refer to the original source to ensure accuracy.