3-Deoxy-3-Fluoro-Beta-D-Glucopyranose

Base Information

• Chemical Name: 3-Deoxy-3-Fluoro-Beta-D-Glucopyranose
• CAS No.: 31001-26-0
• Molecular Formula: C₆H₁₁FO₅
• Molecular Weight: 182.149
• Hs Code.: 2932999099
• UNII: V5PW5RII3K
• DSSTox Substance ID: DTXSID301006680
• Nikkaji Number: J88.694G
• Wikidata: Q27460537
• Mol file: 31001-26-0.mol

Synonyms:3-Deoxy-3-Fluoro-Beta-D-Glucopyranose;V5PW5RII3K;31001-26-0;G3F;UNII-V5PW5RII3K;3-Deoxy-3-fluorohexopyranose;DTXSID301006680;beta-D-3-Deoxy-3-fluoroglucopyranose;beta-D-Glucopyranose, 3-deoxy-3-fluoro-;.BETA.-D-3-DEOXY-3-FLUOROGLUCOPYRANOSE;3-DEOXY-3-FLUORO-.BETA.-D-GLUCOPYRANOSE;.BETA.-D-GLUCOPYRANOSE, 3-DEOXY-3-FLUORO-;Q27460537;3-deoxy-3-fluoro-beta-D-glucose;3-deoxy-3-fluoro-D-glucose;3-deoxy-3-fluoro-glucose;86258-31-3

Chemical Property of 3-Deoxy-3-Fluoro-Beta-D-Glucopyranose

Chemical Property:

• Boiling Point: 408.6±45.0 °C(Predicted)
• PKA: 11.74±0.70(Predicted)
• PSA: 90.15000
• Density: 1.59±0.1 g/cm3(Predicted)
• LogP: -2.24420
• XLogP3: -1.6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 182.05905161
• Heavy Atom Count: 12
• Complexity: 155

Purity/Quality:

3-FLUORO-3-DEOXY-D-GLUCOPYRANOSE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C1C(C(C(C(O1)O)O)F)O)O
• Isomeric SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O

Technology Process of 3-Deoxy-3-Fluoro-Beta-D-Glucopyranose

There total 11 articles about 3-Deoxy-3-Fluoro-Beta-D-Glucopyranose 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: 100.0%

1,2,4,6-tetra-O-acetyl-3-deoxy-3-fluoro-D-mannopyranoside → 3-Deoxy-3-fluoro-D-mannose (7226-70-2,22435-77-4,31001-26-0,31001-27-1,86258-31-3,86334-54-5)

Guidance literature:

With sodium methylate; In methanol; at 20 ℃; for 3h;

DOI:10.1002/chem.201802599

Reference yield: 91.7%

1,6-Anhydro-3-deoxy-3-fluoro-β-D-mannopyranose (88142-85-2) → 3-Deoxy-3-fluoro-D-mannose (7226-70-2,22435-77-4,31001-26-0,31001-27-1,86258-31-3,86334-54-5)

Guidance literature:

With trifluoroacetic acid; at 130 - 140 ℃; for 6h;

Reference yield: 69.0%

1,2,4,6-Tetra-O-acetyl-3-deoxy-3fluoro-α-D-mannopyranose (88198-26-9) → 3-Deoxy-3-fluoro-D-mannose (7226-70-2,22435-77-4,31001-26-0,31001-27-1,86258-31-3,86334-54-5)

Guidance literature:

With sodium methylate; In methanol; for 24h;

upstream raw materials:

3-deoxy-1,2;5,6-di-O-isopropylidene-3-fluoro-α-D-glucofuranose

(1,2:5,6)-di-O-isopropylidene-D-gulose

levoglucosan

1,6 anhydro-2,4-di-O-benzyl-β-D-glucopyranose

Downstream raw materials:

3-Deoxy-3-fluoro-D-mannitol

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