1-(2-Hydroxy-5-methylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione

Base Information

• Chemical Name: 1-(2-Hydroxy-5-methylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
• CAS No.: 29976-84-9
• Molecular Formula: C17H16O4
• Molecular Weight: 284.312
• DSSTox Substance ID: DTXSID80354553
• Wikidata: Q82132774
• Mol file: 29976-84-9.mol

Synonyms:1-(2-hydroxy-5-methylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione;29976-84-9;Cambridge id 5468397;Oprea1_016769;Oprea1_018543;DTXSID80354553;1,3-Propanedione, 1-(2-hydroxy-5-methylphenyl)-3-(4-methoxyphenyl)-;STL329139;AKOS022127765

Chemical Property of 1-(2-Hydroxy-5-methylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 284.10485899
• Heavy Atom Count: 21
• Complexity: 371

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)O)C(=O)CC(=O)C2=CC=C(C=C2)OC

Technology Process of 1-(2-Hydroxy-5-methylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione

There total 8 articles about 1-(2-Hydroxy-5-methylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione 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: 90.0%

5-methyl-2-hydroxyacetophenone (1450-72-2) + p-Methoxybenzoic anhydride (794-94-5) → 1-(2-hydroxy-5-methylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione (29976-84-9)

Guidance literature:

With barium dihydroxide; In dimethyl sulfoxide; for 0.00694444h; microwave irradiation;

Reference yield: 80.0%

2-anisoyloxy-5-methylacetophenone (29976-81-6) → 1-(2-hydroxy-5-methylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione (29976-84-9)

Guidance literature:

With pyridine; potassium hydroxide; 1.) 2 h; 2.) overnight;

Reference yield: 58.0%

5-methyl-2-hydroxyacetophenone (1450-72-2) + ethyl 4-methoxybenzoate (94-30-4) → 1-(2-hydroxy-5-methylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione (29976-84-9)

Guidance literature:

With sodium hydride; In tetrahydrofuran; at 70 ℃; for 2h;

DOI:10.1021/acs.orglett.7b01531

upstream raw materials:

2-anisoyloxy-5-methylacetophenone

5-methyl-2-hydroxyacetophenone

p-Methoxybenzoic anhydride

4-methoxybenzoic acid

Downstream raw materials:

3-chloro-2-(4-methoxy-phenyl)-6-methyl-chromen-4-one

3-bromo-4'-methoxy-6-methylflavone

2-bromo-1-(2-hydroxy-5-methyl-phenyl)-3-(4-methoxy-phenyl)-propane-1,3-dione

2-[4-Bromo-5-(4-methoxy-phenyl)-1-phenyl-1H-pyrazol-3-yl]-4-methyl-phenol