2,7-Dimethylchromen-4-one

Base Information

• Chemical Name: 2,7-Dimethylchromen-4-one
• CAS No.: 41796-13-8
• Molecular Formula: C11H10O2
• Molecular Weight: 174.199
• DSSTox Substance ID: DTXSID70368189
• Nikkaji Number: J1.461.889I
• Wikidata: Q82154559
• ChEMBL ID: CHEMBL2272374
• Mol file: 41796-13-8.mol

Synonyms:2,7-dimethyl-4H-chromen-4-one;41796-13-8;4H-1-Benzopyran-4-one, 2,7-dimethyl-;2,7-dimethylchromen-4-one;2,7-Dimethyl-4H-1-benzopyran-4-one;2,7-DIMETHYLCHROMONE;SCHEMBL7600130;CHEMBL2272374;DTXSID70368189;MFCD00857543;AKOS001020777;SY311300

Chemical Property of 2,7-Dimethylchromen-4-one

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 174.068079557
• Heavy Atom Count: 13
• Complexity: 255

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)C(=O)C=C(O2)C

Technology Process of 2,7-Dimethylchromen-4-one

There total 1 articles about 2,7-Dimethylchromen-4-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:

4'-hydroxy-2'-methylacetophenone (6921-64-8) + acetic anhydride (108-24-7) → 2,7-dimethyl-4H-chromen-4-one (41796-13-8) + 4,7-dimethyl-coumarin (14002-90-5)

Guidance literature:

With sodium acetate; Behandeln des Reaktionsprodukts mit waessr. Ammoniak;

Reference yield: 95.0%

2,7-dimethyl-4H-chromen-4-one (41796-13-8) + thiourea (17356-08-0) → 6-(2-Hydroxy-4-methyl-phenyl)-4-methyl-1H-pyrimidine-2-thione (204914-43-2)

Guidance literature:

With potassium hydroxide; In ethanol; for 3h; Heating;

Reference yield: 94.0%

2,7-dimethyl-4H-chromen-4-one (41796-13-8) → (±)-2,7-dimethyl-4-chromanone (69687-88-3)

Guidance literature:

With ammonium formate; palladium on activated charcoal; In methanol; for 5h; Heating;

upstream raw materials:

4'-hydroxy-2'-methylacetophenone

acetic anhydride

Downstream raw materials:

2-(4-methoxy-trans-styryl)-7-methyl-chromen-4-one

2-hydroxy-p-toluic acid

acetone

6-(2-Hydroxy-4-methyl-phenyl)-4-methyl-1H-pyrimidine-2-thione

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