31001-26-0

Basic information

• Product Name: 3-FLUORO-3-DEOXY-D-GLUCOPYRANOSE
• Synonyms: 3-FLUORO-3-DEOXY-D-GLUCOPYRANOSE;3-FLUORO-3-DEOXY-D-GLUCOSE;3-DEOXY-3-FLUORO-D-GLUCOPYRANOSE
• CAS NO: 31001-26-0
• Molecular Formula: C6H11FO5
• Molecular Weight: 182.15
• Mol File: 31001-26-0.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 408.6±45.0 °C(Predicted)
• Appearance: /
• Density: 1.59±0.1 g/cm3(Predicted)
• PKA: 11.74±0.70(Predicted)
• CAS DataBase Reference: 3-FLUORO-3-DEOXY-D-GLUCOPYRANOSE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-FLUORO-3-DEOXY-D-GLUCOPYRANOSE(31001-26-0)
• EPA Substance Registry System: 3-FLUORO-3-DEOXY-D-GLUCOPYRANOSE(31001-26-0)

Safety Data

• Hazard Codes: Xi
• Hazardous Substances Data: 31001-26-0(Hazardous Substances Data)

Upstream product

• 14049-05-9 3-deoxy-1,2;5,6-di-O-isopropylidene-3-fluoro-α-D-glucofuranose 
• 88142-85-2 1,6-Anhydro-3-deoxy-3-fluoro-β-D-mannopyranose 
• 88198-26-9 1,2,4,6-Tetra-O-acetyl-3-deoxy-3fluoro-α-D-mannopyranose 
• 3868-04-0 1,6:3,4-dianhydro-β-D-altropyranose 
• 33208-48-9 1,6 anhydro-2,4-di-O-benzyl-β-D-glucopyranose 
• 498-07-7 levoglucosan 
• 14686-89-6 (1,2:5,6)-di-O-isopropylidene-D-gulose 

Downstream Products

• 88159-87-9 3-Deoxy-3-fluoro-D-mannitol 

Relevant articles and documents

Addressing the Structural Complexity of Fluorinated Glucose Analogues: Insight into Lipophilicities and Solvation Effects

In this work, we synthesized all mono-, di-, and trifluorinated glucopyranose analogues at positions C-2, C-3, C-4, and C-6. This systematic investigation allowed us to perform direct comparison of 19F resonances of fluorinated glucose analogues and also to determine their lipophilicities. Compounds with a fluorine atom at C-6 are usually the most hydrophilic, whereas those with vicinal polyfluorinated motifs are the most lipophilic. Finally, the solvation energies of fluorinated glucose analogues were assessed for the first time by using density functional theory. This method allowed the log P prediction of fluoroglucose analogues, which was comparable to the C log P values obtained from various web-based programs.

METHOD FOR PRODUCING 18F-LABELED COMPOUND AND HIGH MOLECULAR COMPOUND TO BE USED IN THE METHOD

The present invention aims at solving the problems of conventional methods for producing an 18F-labeled compound, that is, the problem of purification of a compound in a liquid phase synthesis method and the problem of an insufficient yield due

PREPARATION OF 3-DEOXY-3-FLUORO-D-MANNOSE AND CORRESPONDING HEXITOL

Reaction of 1,6:3,4-dianhydro-β-D-altropyranose (I) with potassium hydrogen fluoride in hot ethylene glycol gave 1,6-anhydro-3-deoxy-3-fluoro-β-D-mannopyranose (II).On acid catalysed hydrolysis or acetolysis of compound II 3-deoxy-3-fluoro-D-mannose (VIII) or its tetra-O-acetyl derivative VII, respectively, were obtained.Reduction of compound VIII with sodium borohydride gave 3-deoxy-3-fluoro-D-mannitol (IX).The structures of the mentioned compounds were proved by 1H NMR spectroscopy.