5-Hydroxy-3,4,7-trimethyl-2H-chromen-2-one

Base Information

• Chemical Name: 5-Hydroxy-3,4,7-trimethyl-2H-chromen-2-one
• CAS No.: 107057-96-5
• Molecular Formula: C₁₂H₁₂O₃
• Molecular Weight: 204.225
• DSSTox Substance ID: DTXSID10420598
• Nikkaji Number: J2.109.751I
• Wikidata: Q82231899
• Mol file: 107057-96-5.mol

Synonyms:5-HYDROXY-3,4,7-TRIMETHYL-2H-CHROMEN-2-ONE;107057-96-5;5-hydroxy-3,4,7-trimethylchromen-2-one;CHEMBRDG-BB 7109536;MFCD03713196;Oprea1_051622;DTXSID10420598;3,4,7-Trimethyl-5-hydroxycoumarin;AKOS006338818;BS-36815;CS-0318844;SR-01000251434;SR-01000251434-1

Chemical Property of 5-Hydroxy-3,4,7-trimethyl-2H-chromen-2-one

Chemical Property:

• Vapor Pressure: 3.77E-06mmHg at 25°C
• Boiling Point: 374.8°C at 760 mmHg
• Flash Point: 165.2°C
• Density: 1.217g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 204.078644241
• Heavy Atom Count: 15
• Complexity: 319

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C2C(=C(C(=O)OC2=C1)C)C)O

Technology Process of 5-Hydroxy-3,4,7-trimethyl-2H-chromen-2-one

There total 6 articles about 5-Hydroxy-3,4,7-trimethyl-2H-chromen-2-one 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: 86.0%

2-acetylpropanoic acid ethyl ester (609-14-3) + orcinol (504-15-4) → 5-hydroxy-3,4,7-trimethylcoumarin (107057-96-5)

Guidance literature:

With poly(4-vinylpyridinium) hydrogen sulfate (PVPHS); In neat (no solvent); for 0.2h; Sonication;

DOI:10.1016/j.ultsonch.2013.01.001

Reference yield:

5-methoxy-3,4,7-trimethyl coumarin (116589-54-9) → 5-hydroxy-3,4,7-trimethylcoumarin (107057-96-5)

Guidance literature:

With aluminium trichloride; In benzene; Heating;

Reference yield:

2',6'-dihydroxy-4'-methylacetophenone (1634-34-0) + propionic acid anhydride (123-62-6) → 5-hydroxy-3,4,7-trimethylcoumarin (107057-96-5) + 2-ethyl-5-hydroxy-7-methyl-3-propionyl-chromen-4-one

Guidance literature:

With sodium proprionate; Behandeln des Reaktionsprodukts mit wss. Schwefelsaeure;

upstream raw materials:

2-acetylpropanoic acid ethyl ester

orcinol

2',6'-dihydroxy-4'-methylacetophenone

sodium proprionate

Downstream raw materials:

5-(2-oxo-cyclohexyloxy)-3,4,7-trimethylcoumarin