Quercetin-3-O-glucosyl-6''-acetate

Base Information

• Chemical Name: Quercetin-3-O-glucosyl-6''-acetate
• CAS No.: 54542-51-7
• Molecular Formula: C₂₃H₂₂O₁₃
• Molecular Weight: 506.42
• Wikidata: Q105112718
• Mol file: 54542-51-7.mol

Synonyms:Quercetin-3-O-glucosyl-6''-acetate;[6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate;QUERCETIN-3-O-BETA-D-GLUCOPYRANOSYL-6-ACETATE

Chemical Property of Quercetin-3-O-glucosyl-6''-acetate

Chemical Property:

• Boiling Point: 848.3±65.0 °C(Predicted)
• PKA: 6.17±0.40(Predicted)
• PSA: 216.58000
• Density: 1.77±0.1 g/cm3(Predicted)
• LogP: 0.03190
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 6
• Exact Mass: 506.10604075
• Heavy Atom Count: 36
• Complexity: 861

Purity/Quality:

98% ^*data from raw suppliers

Quercetin-3-O-beta-D-glucopyranosyl-6"-acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O

Technology Process of Quercetin-3-O-glucosyl-6''-acetate

There total 4 articles about Quercetin-3-O-glucosyl-6''-acetate 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: 37.0%

isoquercetin (482-35-9) + acetic acid (64-19-7,77671-22-8) → quercetin 3-O-(6''-O-acetyl)-β-D-glucopyranoside (54542-51-7,72659-75-7,94799-71-0)

Guidance literature:

With Novozym 435; In acetone; at 45 ℃; for 2h; Molecular sieve;

DOI:10.3390/ijms17060899

Reference yield:

quercetin 3-O-(6′′-O-malonyl)-β-glucopyranoside (96862-01-0) → quercetin 3-O-(6''-O-acetyl)-β-D-glucopyranoside (54542-51-7,72659-75-7,94799-71-0)

Guidance literature:

In dimethylsulfoxide-d6; at 95 ℃; for 4.5h;

DOI:10.1016/S0031-9422(00)98028-2

Reference yield:

Potassium; {(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxy-phenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yloxy]-3,4,5-trihydroxy-tetrahydro-pyran-2-ylmethoxycarbonyl}-acetate → quercetin 3-O-(6''-O-acetyl)-β-D-glucopyranoside (54542-51-7,72659-75-7,94799-71-0)

Guidance literature:

In dimethylsulfoxide-d6; at 95 ℃; for 0.333333h;

DOI:10.1016/S0031-9422(00)98028-2

upstream raw materials:

quercetin 3-O-(6′′-O-malonyl)-β-glucopyranoside

isoquercetin

vinyl acetate

acetic acid

Downstream raw materials:

3',4',5,7-tetra-O-acetylquercetin 3-O-(2'',3'',4'',6''-tetra-O-acetyl-β-D-glucopyranoside)

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