7-hydroxy-4,5-dimethyl-2H-chromen-2-one

Base Information

• Chemical Name: 7-hydroxy-4,5-dimethyl-2H-chromen-2-one
• CAS No.: 51786-56-2
• Molecular Formula: C11H10O3
• Molecular Weight: 190.199
• DSSTox Substance ID: DTXSID10421085
• Nikkaji Number: J1.684.017C
• Wikidata: Q82232445
• ChEMBL ID: CHEMBL1819430
• Mol file: 51786-56-2.mol

Synonyms:7-hydroxy-4,5-dimethyl-2H-chromen-2-one;51786-56-2;7-hydroxy-4,5-dimethylchromen-2-one;CCG-535;4,5-Dimethyl-7-hydroxycoumarin;7-hydroxy-4,5-dimethylcoumarin;CHEMBL1819430;SCHEMBL11215292;DTXSID10421085;AKOS000276808

Chemical Property of 7-hydroxy-4,5-dimethyl-2H-chromen-2-one

Chemical Property:

• PSA: 50.44000
• LogP: 2.11540
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 190.062994177
• Heavy Atom Count: 14
• Complexity: 282

Purity/Quality:

7-Hydroxy-4,5-dimethyl-2H-chromen-2-one 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC2=C1C(=CC(=O)O2)C)O

Technology Process of 7-hydroxy-4,5-dimethyl-2H-chromen-2-one

There total 7 articles about 7-hydroxy-4,5-dimethyl-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: 98.0%

orcinol (504-15-4) + ethyl acetoacetate (141-97-9) → 4,5-dimethyl-7-hydroxycoumarin (51786-56-2)

Guidance literature:

With perchloric acid; at 20 ℃;

DOI:10.1016/j.ejmech.2011.05.052

Reference yield: 94.0%

orcinol (504-15-4) + 2,2,6-trimethyl-4H-1,3-dioxin-4-one (5394-63-8) → 4,5-dimethyl-7-hydroxycoumarin (51786-56-2)

Guidance literature:

2,2,6-trimethyl-4H-1,3-dioxin-4-one; With dihydroxy-poly(ethylene glycol) of MW = 4000; In toluene; for 5h; Heating;

orcinol; With titanium tetrachloride; In tetrahydrofuran; at 20 ℃; for 0.583333h;

DOI:10.1080/00397910600908868

Reference yield: 93.0%

orcinol (504-15-4) + acetoacetic acid methyl ester (105-45-3) → 4,5-dimethyl-7-hydroxycoumarin (51786-56-2)

Guidance literature:

With cobalt(II) supported on mesoporous SBA-15 nanocatalyst; In neat (no solvent); at 100 ℃; for 3h; Green chemistry;

DOI:10.1007/s10562-015-1544-1

upstream raw materials:

orcinol

ethyl acetoacetate

chloro-trimethyl-silane

acetic acid

Downstream raw materials:

1-(2,4-dihydroxy-6-methylphenyl)ethanone

7-hydroxy-4,5-dimethyl-8-nitrosocoumarin

4,5-dimethyl-2-oxo-2H-1-benzopyran-7-yl phenylcarbamate