4H-1-Benzopyran-4-one, 3-acetyl-5-hydroxy-2-methyl-

Base Information

• Chemical Name: 4H-1-Benzopyran-4-one, 3-acetyl-5-hydroxy-2-methyl-
• CAS No.: 26239-18-9
• Molecular Formula: C₁₂H₁₀O₄
• Molecular Weight: 218.209
• DSSTox Substance ID: DTXSID50453047
• Wikidata: Q82274023
• Mol file: 26239-18-9.mol

Synonyms:26239-18-9;3-Acetyl-5-hydroxy-2-methyl-4H-chromen-4-one;4H-1-Benzopyran-4-one, 3-acetyl-5-hydroxy-2-methyl-;SCHEMBL8461775;DTXSID50453047

Chemical Property of 4H-1-Benzopyran-4-one, 3-acetyl-5-hydroxy-2-methyl-

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 218.05790880
• Heavy Atom Count: 16
• Complexity: 369

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=O)C2=C(C=CC=C2O1)O)C(=O)C

Technology Process of 4H-1-Benzopyran-4-one, 3-acetyl-5-hydroxy-2-methyl-

There total 4 articles about 4H-1-Benzopyran-4-one, 3-acetyl-5-hydroxy-2-methyl- 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: 70.0%

2,6-dihydroxylacetophenone (699-83-2) + acetic anhydride (108-24-7) → 3-acetyl-5-hydroxy-2-methyl-4H-1-benzopyran-4-one (26239-18-9)

Guidance literature:

2,6-dihydroxylacetophenone; acetic anhydride; With sodium acetate; for 8h; Heating;

With hydrogenchloride; In ethanol; water; Heating;

DOI:10.1002/jhet.5570390404

Reference yield: 35.0%

2,6-dihydroxylacetophenone (699-83-2) + acetyl chloride (75-36-5) → 5-hydroxy-2-methylchromanone (1130-62-7) + 3-acetyl-5-hydroxy-2-methyl-4H-1-benzopyran-4-one (26239-18-9)

Guidance literature:

2,6-dihydroxylacetophenone; With potassium carbonate; In acetone; at 20 ℃; for 0.25h;

acetyl chloride; In acetone; for 24h; Reflux;

DOI:10.3762/bjoc.14.62

Reference yield:

2,6-dihydroxylacetophenone (699-83-2) + sodium acetate (127-09-3) + acetic anhydride (108-24-7) → 5-hydroxy-4-methylcoumarin (2373-34-4) + 3-acetyl-5-hydroxy-2-methyl-4H-1-benzopyran-4-one (26239-18-9)

Guidance literature:

at 160 ℃;

upstream raw materials:

2,6-diacetoxyacetophenone

2,6-dihydroxylacetophenone

sodium acetate

acetic anhydride