690945

N,N-Diethylacetoacetamide

Arxada quality, 98.0-100.3 % (w/w) (T)

• Linear Formula: CH₃COCH₂CON(C₂H₅)₂
• CAS Number: 2235-46-3
• Molecular Weight: 157.21
• Beilstein: 636486
• EC Number: 218-792-3
• MDL number: MFCD00026728
• UNSPSC Code: 12352100
• PubChem Substance ID: 329761374
• NACRES: NA.22

Properties

• form: liquid
• Quality Level: 100
• quality: Arxada quality
• manufacturer/tradename: Arxada AG
• concentration: 98.0-100.3 % (w/w) (T)
• impurities: ≤0.30% water; ≤4.00 g/L free amine
• density: 0.994 g/mL at 20 °C (lit.)
• SMILES string: CCN(CC)C(=O)CC(C)=O
• InChI: 1S/C8H15NO2/c1-4-9(5-2)8(11)6-7(3)10/h4-6H2,1-3H3
• InChI key: NTMXFHGYWJIAAE-UHFFFAOYSA-N

Description

Application

N,N-Diethylacetoacetamide is a β-dicarbonyl compound that  can be used to synthesize potent calcium channel blockers such as 2,6,6-trimethyl-3-diethylaminocarbonyl-4-aryl-5-oxo-1,4,5,6,7,8-hexahydroquinoline derivatives and N,N-diethyl-2,6,6-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide. It can also undergo Michael addition in the presence of bis(2,4-pentanedionato)nickel(II) catalyst.

Safety Information

• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 3
• Flash Point(F): 201.2 °F - closed cup
• Flash Point(C): 94 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves