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Structure

5-Hydroxymethyl-furan-2-carboxylic acid

CAS
6338-41-6
Catalog Number
ACM6338416
Category
Furans
Molecular Weight
142.11
Molecular Formula
C6H6O4

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Specification

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

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.

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