N,N-Dimethyl-3-oxobutanamide

Basic Information

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CAS Number

2044-64-6

Molecular Formula

C6H11NO2

Molecular Weight

129.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Physical Properties

Melting Point

-55 ºC

Boiling Point

105 °C

Solubility

H2O: soluble

Refractive Index

n20/D 1.447

SMILES

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CC(=O)CC(=O)N(C)C

InChI

InChI=1S/C6H11NO2/c1-5(8)4-6(9)7(2)3/h4H2,1-3H3

InChIKey

YPEWWOUWRRQBAX-UHFFFAOYSA-N

LogP

0.05369999999999986

Topological Polar Surface Area

37.38 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

129

Safety Information

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Hazard Statement

H316 Causes mild skin irritation
Skin corrosion/irritation

H320 Causes eye irritation
Serious eye damage/eye irritation

Sensitiveness

Sensitive to moisture

Synonyms & References

English

N,N-Dimethyl-3-oxobutyramide
N,N-dimethyl-3-oxo-butyramide
Acetylacetamide,N-dimethyl-
NS00009956
N.N-Dimethylacetoacetamide
CHEMBL3185062
7E2L0OAA4K
NSC 524755
dimethylacetoacetamide
NCGC00257209-01
EN300-17523
NCGC00259447-01
E75883
DTXCID607454
Q27268134
NN-Dimethylacetoacetamide
DTXSID8027454
EC 218-059-8
4-PHENYL-2-(PYRIDIN-4-YL)OXAZOLE-5-CARBOXYLICACID
Dimethylamid kyseliny acetoctove [Czech]
N,N-DIMETHYL ACETOACETAMIDE
YPEWWOUWRRQBAX-UHFFFAOYSA-
A879614
InChI=1/C6H11NO2/c1-5(8)4-6(9)7(2)3/h4H2,1-3H3
N,N-Dimethylacetoacetamide
MFCD00038243
ACETOACETAMIDE, N,N-DIMETHYL-
NCGC00249133-01
D0642
FT-0629784
NSC-524755

MDL Number

MFCD00038243

FAQ

What are the physical and chemical properties of N,N-Dimethyl-3-oxobutanamide (CAS: 2044-64-6)?

N,N-Dimethyl-3-oxobutanamide (CAS: 2044-64-6) is a white crystalline solid with a molecular weight of approximately 128.18 g/mol. It is slightly soluble in water and miscible with organic solvents. This compound is moderately reactive, particularly in acid and base conditions. It can form esters and amides, and is used as a precursor in various chemical reactions.

How is N,N-Dimethyl-3-oxobutanamide (CAS: 2044-64-6) typically synthesized?

N,N-Dimethyl-3-oxobutanamide (CAS: 2044-64-6) is typically synthesized via the condensation of dimethyl acetamide with acetic anhydride in the presence of a catalytic amount of acid, such as sulfuric acid. The reaction is exothermic and proceeds with good yield. The product can be isolated by recrystallization from appropriate solvents.

What industries use N,N-Dimethyl-3-oxobutanamide (CAS: 2044-64-6)?

N,N-Dimethyl-3-oxobutanamide (CAS: 2044-64-6) is used in the pharmaceutical industry as a precursor in the synthesis of drugs. It is also utilized in the chemical industry for the preparation of various amides and esters. Additionally, it plays a role in the synthesis of polymers and as a reagent in analytical chemistry.

What precautions should be taken when handling N,N-Dimethyl-3-oxobutanamide (CAS: 2044-64-6)?

When handling N,N-Dimethyl-3-oxobutanamide (CAS: 2044-64-6), users should wear appropriate personal protective equipment (PPE), including gloves and safety goggles. This compound should be handled in a well-ventilated area, preferably in a fume hood. Spills should be cleaned up using appropriate absorbents, and the area should be flushed with water. Always refer to the Safety Data Sheet (SDS) for detailed safety measures and emergency protocols.