(5-hydroxy-4-oxo-4H-pyran-2-yl)methyl acetate

Base Information

• Chemical Name: (5-hydroxy-4-oxo-4H-pyran-2-yl)methyl acetate
• CAS No.: 25552-08-3
• Molecular Formula: C8H8O5
• Molecular Weight: 184.14600
• European Community (EC) Number: 844-478-6
• DSSTox Substance ID: DTXSID60480884
• Nikkaji Number: J706.032G
• Wikidata: Q82316007
• Mol file: 25552-08-3.mol

Synonyms:(5-hydroxy-4-oxo-4H-pyran-2-yl)methyl acetate;25552-08-3;(5-hydroxy-4-oxopyran-2-yl)methyl acetate;4H-Pyran-4-one, 2-[(acetyloxy)methyl]-5-hydroxy-;SCHEMBL11981428;DTXSID60480884;AKOS022505458;AB88059;VS-13493;CS-0260075;EN300-7447581;F2158-2187;Z1235828823

Chemical Property of (5-hydroxy-4-oxo-4H-pyran-2-yl)methyl acetate

Chemical Property:

• PSA: 76.74000
• LogP: 0.40850
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 184.03717335
• Heavy Atom Count: 13
• Complexity: 300

Purity/Quality:

99% ^*data from raw suppliers

(5-Hydroxy-4-oxo-4H-pyran-2-yl)methylacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC1=CC(=O)C(=CO1)O

Technology Process of (5-hydroxy-4-oxo-4H-pyran-2-yl)methyl acetate

There total 8 articles about (5-hydroxy-4-oxo-4H-pyran-2-yl)methyl 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: 99.0%

5-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one (501-30-4,123712-78-7) + vinyl acetate (108-05-4,9003-20-7) → 7-O-acetylkojic acid (25552-08-3)

Guidance literature:

novozyme 435; In acetonitrile; at 50 ℃; Enzymatic reaction;

Reference yield:

5-acetoxy-2-acetoxymethyl-4H-pyran-4-one (26209-93-8) → 7-O-acetylkojic acid (25552-08-3)

Guidance literature:

With aluminium trichloride;

DOI:10.1021/ja01175a060

Reference yield:

5-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one (501-30-4,123712-78-7) + acetic anhydride (108-24-7) → 7-O-acetylkojic acid (25552-08-3)

Guidance literature:

With phosphoric acid;

DOI:10.1021/ja01110a525 DOI:10.1021/jo00974a037

upstream raw materials:

5-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one

acetic anhydride

acetyl chloride

5-acetoxy-2-acetoxymethyl-4H-pyran-4-one

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