N-(4-Methylphenyl)-3-oxobutanamide

Basic Information

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CAS Number

2415-85-2

Molecular Formula

C11H13NO2

Molecular Weight

191.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Melting Point

94.0 to 97.0 deg-C

Boiling Point

376 °C at 760 mmHg

Density

1.132

Flash Point

162 °C

Refractive Index

1.56

SMILES

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CC1=CC=C(C=C1)NC(=O)CC(=O)C

InChI

InChI=1S/C11H13NO2/c1-8-3-5-10(6-4-8)12-11(14)7-9(2)13/h3-6H,7H2,1-2H3,(H,12,14)

InChIKey

MJGLMEMIYDUEHA-UHFFFAOYSA-N

LogP

1.91262

Topological Polar Surface Area

46.17 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

217

Safety Information

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GHS Hazard Pictograms

H301

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

2415-85-2
p-Methylacetoacetanilide
3-Oxo-N-(p-tolyl)butanamide
SR-01000389576
EINECS 219-327-7
MFCD00043931
AKOS000313212
NSC50631
CCRIS 7751
N-(4-Methylphenyl)-3-oxobutanamide
CS-0153054
N-Acetoacetyl-p-toluidine
NS00027570
4'-Methylacetoacetanilide
10D-069
SR-01000389576-1
N-(4-METHYLPHENYL)ACETYLACETAMIDE
E75887
W-107346
N-Acetoacetyl-4-methylaniline
3-oxo-N-p-tolylbutanamide
4-Methylacetoacetanilide
4-Acetoacetylaminotoluene
UNII-G147166Y69
NSC-50631
NSC 50631
1-(4-METHYLPHENYLAMINO)BUTA-1,3-DIONE
ACETOACETIC ACID P-TOLUIDIDE
N-(4-methylphenyl)-3-oxobutan-amide
ACETOACETYL-P-TOLUIDINE, N-
3-Butoxy-benzoicacidhydrazide

MDL Number

MFCD00043931

Customs Code

2924299090

FAQ

What are the physical and chemical properties of N-(4-Methylphenyl)-3-oxobutanamide (CAS: 2415-85-2)?

N-(4-Methylphenyl)-3-oxobutanamide (CAS: 2415-85-2) is a white crystalline solid with a molecular weight of approximately 192.23 g/mol. It is sparingly soluble in water but soluble in common organic solvents like ethanol and dichloromethane. The compound is relatively stable under normal conditions but may undergo hydrolysis in basic solutions. It has a melting point of around 100-105°C and is slightly soluble in acidic media.

How is N-(4-Methylphenyl)-3-oxobutanamide (CAS: 2415-85-2) typically synthesized?

N-(4-Methylphenyl)-3-oxobutanamide (CAS: 2415-85-2) can be synthesized by reacting 4-methylbenzaldehyde with acryloyl chloride in the presence of a base such as triethylamine. The reaction typically proceeds with a high yield and good selectivity. The product can be purified by recrystallization from organic solvents.

What industries use N-(4-Methylphenyl)-3-oxobutanamide (CAS: 2415-85-2)?

N-(4-Methylphenyl)-3-oxobutanamide (CAS: 2415-85-2) is used in various industries including pharmaceuticals, where it serves as a precursor for the synthesis of certain drug molecules. It also finds applications in the polymer industry as a monomer for the production of functionalized polymers. Additionally, it can be used in the development of sensors and semiconductors due to its specific chemical properties.

What precautions should be taken when handling N-(4-Methylphenyl)-3-oxobutanamide (CAS: 2415-85-2)?

When handling N-(4-Methylphenyl)-3-oxobutanamide (CAS: 2415-85-2), it is essential to use appropriate personal protective equipment (PPE) such as gloves and safety goggles. The compound should be stored in a cool, dry environment away from incompatible materials. In case of spill, it should be carefully managed according to the Material Safety Data Sheet (MSDS) guidelines, and the area should be ventilated. Always refer to the SDS before handling the compound.