3-((dimethylamino)methylene)-6-methyl-2H-pyran-2,4(3H)-dione

Base Information

• Chemical Name: 3-((dimethylamino)methylene)-6-methyl-2H-pyran-2,4(3H)-dione
• CAS No.: 33821-61-3
• Molecular Formula: C9H11NO3
• Molecular Weight: 181.191
• DSSTox Substance ID: DTXSID50363410

Synonyms:33821-61-3;3-(dimethylaminomethylidene)-6-methylpyran-2,4-dione;3-((dimethylamino)methylene)-6-methyl-2H-pyran-2,4(3H)-dione;3-[(dimethylamino)methylene]-6-methyl-2H-pyran-2,4(3H)-dione;SCHEMBL843843;DTXSID50363410;AKOS030241166;3-Dimethylaminomethylene-6-methyl-pyran-2,4-dione;3-(Dimethylaminomethylene)-4-oxo-6-methyl-2-pyrone;3-[(dimethylamino)methylidene]-6-methyl-3,4-dihydro-2H-pyran-2,4-dione

Chemical Property of 3-((dimethylamino)methylene)-6-methyl-2H-pyran-2,4(3H)-dione

Chemical Property:

• Melting Point: 145-147 °C
• Boiling Point: 305.3±42.0 °C(Predicted)
• PSA: 46.61000
• Density: 1.269±0.06 g/cm3(Predicted)
• LogP: 0.46160
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 181.07389321
• Heavy Atom Count: 13
• Complexity: 313

Purity/Quality:

97% ^*data from raw suppliers

3-((DIMETHYLAMINO)METHYLENE)-6-METHYL-2H-PYRAN-2,4(3H)-DIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=O)C(=CN(C)C)C(=O)O1

Technology Process of 3-((dimethylamino)methylene)-6-methyl-2H-pyran-2,4(3H)-dione

There total 7 articles about 3-((dimethylamino)methylene)-6-methyl-2H-pyran-2,4(3H)-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: 97.0%

4-hydroxy-6-methyl-2-pyron (675-10-5) + N,N-dimethyl-formamide dimethyl acetal (4637-24-5) → 3-((dimethylamino)methylene)-6-methyl-2H-pyran-2,4(3H)-dione (33821-61-3)

Guidance literature:

In toluene; at 15 ℃; for 2h;

Reference yield: 69.0%

4-hydroxy-6-methyl-2-pyron (675-10-5) + N,N-dimethyl-formamide dimethyl acetal (4637-24-5) → (E/Z)-3-((dimethylamino)methylene)-6-methyl-2H-pyran-2,4(3H)-dione (33821-61-3)

Guidance literature:

In 1,4-dioxane; at 20 ℃; for 1h;

DOI:10.1039/b924679g

Reference yield:

4-hydroxy-6-methyl-2-pyrone + N,N-dimethyl-formamide dimethyl acetal (4637-24-5) → (E/Z)-3-((dimethylamino)methylene)-6-methyl-2H-pyran-2,4(3H)-dione (33821-61-3)

Guidance literature:

In toluene; at 20 ℃; for 2h;

upstream raw materials:

4-hydroxy-6-methyl-2-pyron

N,N-dimethyl-formamide dimethyl acetal

6-methyl-pyran-2,4-dione

4-hydroxy-6-methyl-2H-pyran-2-one

Downstream raw materials:

N₃-(cyclohexyl)-6-methyl-4-oxo-1-pentyl-1,4-dihydropyridine-3-carboxamide

6-methyl-4-oxo-1-pentyl-N₃-(phenyl)-1,4-dihydropyridine-3-carboxamide

N₃-(1-adamantyl)-5-(4-ethylphenyl)-6-methyl-4-oxo-1-pentyl-1,4-dihydropyridine-3-carboxamide

N₃-(1-adamantyl)-6-methyl-4-oxo-1-pentyl-5-phenyl-1,4-dihydropyridine-3-carboxamide

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