N-(2-Methoxyphenyl)-3-oxobutanamide

Basic Information

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CAS Number

92-15-9

Molecular Formula

C11H13NO3

Molecular Weight

207.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Melting Point

85.0 to 87.0 deg-C

Boiling Point

372.9°C at 760 mmHg

Density

1.1320

Flash Point

157 C

Refractive Index

1.5100 (estimate)

SMILES

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CC(=O)CC(=O)NC1=CC=CC=C1OC

InChI

InChI=1S/C11H13NO3/c1-8(13)7-11(14)12-9-5-3-4-6-10(9)15-2/h3-6H,7H2,1-2H3,(H,12,14)

InChIKey

KYYRTDXOHQYZPO-UHFFFAOYSA-N

LogP

1.6127999999999998

Topological Polar Surface Area

55.4 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

240

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H316 Causes mild skin irritation
Skin corrosion/irritation

H320 Causes eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

N-(2-Methoxyphenyl)-3-oxobutanamide
AAOA
ortho-acetoacetanisidide
Acetoacetanisidide
o-acetoacetanisidide
acetoacetyl-o-anisidine
Acetoacetic-o-anisidide
AcetoAcet-O-Anisilide
Acetoacet-O-Anisidine
2-methoxyacetoacetanilide
Acetoacetyl-o-acetanisidine
Acetoacet-o-anisidide
o-Acetoacetaniside
1-acetoacetylamino-2-methoxybenzene
1-AdaMantanecarbonyl chloride
2'-acetoacetanisidide
2-acetoacetylamino-anisol
2'-methoxyacetoacetanilide
Acetacet-O-anisidine
acetoacetamino-2-methoxybenzene
Acetoacet-o-anisidin
aceto-acetyl-amino-2-methoxy-benzene
o-Acetoacetanisidine
N-Acetoacetyl-o-anisidine
N-Acetoacetyl-2-methoxyaniline
Acetoacetyl-o-anisidide
o-Methoxyacetoacetanilide
2-Acetoacetylaminoanisole
o-Anisidine, acetoactyl-
Butanamide, N-(2-methoxyphenyl)-3-oxo-
Acetoacetyl-o-aniside

MDL Number

MFCD00008781

FAQ

What are the physical and chemical properties of N-(2-Methoxyphenyl)-3-oxobutanamide (CAS: 92-15-9)?

N-(2-Methoxyphenyl)-3-oxobutanamide (CAS: 92-15-9) is a white crystalline solid with a molecular weight of 222.25 g/mol. It has a solubility of 1.5 g/L in water and is slightly soluble in ethanol. The compound is chemically stable but can undergo hydrolysis under acidic or basic conditions. It is a weak acid and shows some reactivity towards nucleophiles.

How is N-(2-Methoxyphenyl)-3-oxobutanamide (CAS: 92-15-9) typically synthesized?

N-(2-Methoxyphenyl)-3-oxobutanamide (CAS: 92-15-9) is typically synthesized via a condensation reaction between 2-methoxybenzaldehyde and acetoacetic acid. The reaction is catalyzed by an acid such as hydrochloric acid or trifluoroacetic acid. High yields (up to 90%) can be achieved with careful control of reaction conditions and use of anhydrous solvents.

What industries use N-(2-Methoxyphenyl)-3-oxobutanamide (CAS: 92-15-9)?

N-(2-Methoxyphenyl)-3-oxobutanamide (CAS: 92-15-9) is used in the pharmaceutical industry for the synthesis of certain drugs. It is also found in the polymer industry as a monomer for the production of specialty polymers. Additionally, it has applications in the sensor and semiconductor industries for use in the fabrication of advanced materials.

What precautions should be taken when handling N-(2-Methoxyphenyl)-3-oxobutanamide (CAS: 92-15-9)?

When handling N-(2-Methoxyphenyl)-3-oxobutanamide (CAS: 92-15-9), it is important to wear appropriate personal protective equipment (PPE) including gloves, safety glasses, and a lab coat. The material should be handled in a well-ventilated area or a fume hood to prevent inhalation. Spills should be cleaned up with appropriate absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed safety information.