2-Acetyl-4-beta-D-glucopyranosyl-1,3,5-benzenetriol

Base Information

Chemical Name:2-Acetyl-4-beta-D-glucopyranosyl-1,3,5-benzenetriol
CAS No.:88885-07-8
Molecular Formula:C₁₄H₁₈O₉
Molecular Weight:330.292
Hs Code.:
DSSTox Substance ID:DTXSID901203375
Nikkaji Number:J1.597.485K
Wikidata:Q105121733
ChEMBL ID:CHEMBL1645377

Synonyms:CHEMBL1645377;DTXSID901203375;2-Acetyl-4-beta-D-glucopyranosyl-1,3,5-benzenetriol;1-(3-beta-D-Glucopyranosyl-2,4,6-trihydroxyphenyl)ethanone;88885-07-8

Suppliers and Price of 2-Acetyl-4-beta-D-glucopyranosyl-1,3,5-benzenetriol

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 2-Acetyl-4-beta-D-glucopyranosyl-1,3,5-benzenetriol

Chemical Property:

XLogP3:-1.4
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:330.09508215
Heavy Atom Count:23
Complexity:431

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(=O)C1=C(C=C(C(=C1O)C2C(C(C(C(O2)CO)O)O)O)O)O
Isomeric SMILES:CC(=O)C1=C(C=C(C(=C1O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O

Technology Process of 2-Acetyl-4-beta-D-glucopyranosyl-1,3,5-benzenetriol

There total 12 articles about 2-Acetyl-4-beta-D-glucopyranosyl-1,3,5-benzenetriol 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%

: 169566-46-5
1-(4,6-bis(benzyloxy)-2-hydroxy-3-((2S,3S,4R,5R,6R)-3,4,5-tris(benzyloxy)-6-(benzyloxymethyl)tetrahydro-2H-pyran-2-yl)phenyl)ethanone

: 88885-07-8
3′-glucosyl-2′,4′,6′-trihydroxyacetophenone

Guidance literature:: With hydrogen; palladium on activated charcoal; In ethanol; ethyl acetate; at 20 ℃; for 24h;
DOI:10.1016/S0008-6215(99)00140-8

Reference yield: 93.0%

: 1309438-45-6
4,6-bis-hydroxy-3-C-(2,3,4,6-tetra-O-benzyl-β-D-glucopyranosyl)-2-hydroxyacetophenone

: 88885-07-8
3′-glucosyl-2′,4′,6′-trihydroxyacetophenone

Guidance literature:: With palladium 10% on activated carbon; hydrogen; In ethyl acetate; at 20 ℃;
DOI:10.1021/acs.jmedchem.0c00841

Reference yield: 48.0%

: 50-99-7
D-glucose

: 480-66-0,67471-34-5
2,4,6-trihydroxyacetophenone

: 88885-07-8
3′-glucosyl-2′,4′,6′-trihydroxyacetophenone

Guidance literature:: With scandium tris(trifluoromethanesulfonate); In water; acetonitrile; for 12h; regioselective reaction; Reflux;
DOI:10.1016/j.carres.2010.04.001