3-Deoxyfructose

Base Information

• Chemical Name: 3-Deoxyfructose
• CAS No.: 6196-57-2
• Molecular Formula: C6H12 O5
• Molecular Weight: 164.158
• DSSTox Substance ID: DTXSID80210988
• Nikkaji Number: J646.340A
• Wikidata: Q74417477
• Metabolomics Workbench ID: 38782
• Mol file: 6196-57-2.mol

Synonyms:3-deoxy-D-erythro-hexulose;3-deoxyfructose;3-deoxyhexulose

Chemical Property of 3-Deoxyfructose

Chemical Property:

• Vapor Pressure: 1.04E-10mmHg at 25°C
• Boiling Point: 467.6°C at 760 mmHg
• Flash Point: 250.7°C
• PSA: 97.99000
• Density: 1.421g/cm³
• LogP: -2.34800
• XLogP3: -2.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 164.06847348
• Heavy Atom Count: 11
• Complexity: 124

Purity/Quality:

99% ^*data from raw suppliers

3-Deoxy-D-fructose ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(C(CO)O)O)C(=O)CO
• Isomeric SMILES: C([C@@H]([C@@H](CO)O)O)C(=O)CO
• Uses: 3-Deoxy-D-fructose is a metabolic fingerprint of 3-Deoxyglucosone(D239150) and an indicator of diabetes in plasma and urine.

Technology Process of 3-Deoxyfructose

There total 16 articles about 3-Deoxyfructose which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 73.0%

(5S)-5-[(1R)-1,2-dihydroxyethyl]-3-benzyloxymethyl-4,5-dihydrooxazole (334999-16-5) → 3-deoxy-D-erythro-hexos-2-ulose (6196-57-2)

Guidance literature:

With hydrogen; acetic acid; palladium on activated charcoal; In methanol; water; for 20h;

DOI:10.1021/jo001480f

Reference yield: 69.0%

3-deoxy-1,2:4,5-di-O-methylethylidene-β-D-ertythro-hex-2-ulopyranose (67104-35-2) → 3-deoxy-D-erythro-hexos-2-ulose (6196-57-2)

Guidance literature:

With hydrogenchloride; at 70 ℃; for 48h;

DOI:10.1016/0008-6215(90)80111-F

Reference yield:

(S)-1-((S)-3-Benzyloxymethyl-4,5-dihydro-isoxazol-5-yl)-ethane-1,2-diol (104048-51-3,104048-52-4) → 3-deoxy-threo-hexulose (4746-12-7,6196-57-2,84025-91-2)

Guidance literature:

With quinoline; hydrogen; Pd-BaSO₄; In methanol; water; for 2h;

DOI:10.1016/S0040-4020(01)91358-4

upstream raw materials:

D-lyxo-3-deoxy-hexose

3-deoxy-D-arabino-hexose

3-deoxy-1,2:4,5-di-O-methylethylidene-β-D-ertythro-hex-2-ulopyranose

3-deoxyglucosone

Downstream raw materials:

2,5-bis-(hydroxymethyl)furan

furan-2,5-dicarboxylic acid

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