N-(4-Chlorophenyl)-3-oxobutanamide | CAS No. 140-49-8

Q: What are the physical and chemical properties of N-(4-Chlorophenyl)-3-oxobutanamide (CAS: 140-49-8)?

N-(4-Chlorophenyl)-3-oxobutanamide (CAS: 140-49-8) is a white crystalline solid. Its molecular weight is approximately 210.01 g/mol. This compound is slightly soluble in water and has good solubility in organic solvents such as ethanol and acetonitrile. It is moderately reactive, particularly towards nucleophiles and bases, and it can undergo amide hydrolysis under basic conditions.

Q: How is N-(4-Chlorophenyl)-3-oxobutanamide (CAS: 140-49-8) typically synthesized?

N-(4-Chlorophenyl)-3-oxobutanamide (CAS: 140-49-8) can be synthesized by reacting 4-chlorophenylacetic acid with acetic anhydride in the presence of a catalytic amount of a Lewis acid such as aluminum trichloride. The reaction is typically conducted in a non-polar organic solvent like toluene under reflux conditions. The yield is usually around 80-85%, and the product can be isolated by recrystallization from ethanol.

Q: What industries use N-(4-Chlorophenyl)-3-oxobutanamide (CAS: 140-49-8)?

N-(4-Chlorophenyl)-3-oxobutanamide (CAS: 140-49-8) is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various drugs. It is also utilized in the polymer industry for its amide functionality, which can be used in the production of coatings and adhesives. Additionally, it can be employed in the manufacturing of sensors and semiconductors due to its chemical reactivity.

Q: What precautions should be taken when handling N-(4-Chlorophenyl)-3-oxobutanamide (CAS: 140-49-8)?

When handling N-(4-Chlorophenyl)-3-oxobutanamide (CAS: 140-49-8), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up using absorbent materials and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal guidelines.

N-(4-Chlorophenyl)-3-oxobutanamide

Basic Information

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CAS Number

140-49-8

Molecular Formula

C10H10ClNO2

Molecular Weight

211.65 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

210-212 ºC

Boiling Point

303°C (rough estimate)

Water Solubility

<0.1 g/100 mL at 19 ºC

Flash Point

110 ºC

Refractive Index

1.5500 (estimate)

SMILES

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CC(=O)NC1=CC=C(C=C1)C(=O)CCl

InChI

InChI=1S/C10H10ClNO2/c1-7(13)6-10(14)12-9-4-2-8(11)3-5-9/h2-5H,6H2,1H3,(H,12,14)

InChIKey

JMRJWEJJUKUBEA-UHFFFAOYSA-N

LogP

2.0664999999999996

Topological Polar Surface Area

46.17 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

222

Synonyms & References

English

UNII-87IAK033NK
p-(2-chloroacetyl)acetanilide
AKOS000200680
4'-CHLOROACETYL(ACETANILIDE) [HSDB]
WLN: G1VR DMV1
N-[4-(chloroacetyl)phenyl]acetamide
NCGC00091384-03
N-[4-(2-Chloroacetyl)phenyl]acetamide #
N-(4-(2-chloroacetyl)phenyl)acetamide
Q27145911
4-Acetamido-2-chloroacetophenone
NSC 768
87IAK033NK
MFCD00040869
N-[4-(2-Chloroacetyl)phenyl]acetamide
p-acetamidophenacyl cloride
N-(4-(Chloroacetyl)phenyl)acetamide
4'-[Chloroacetyl]acetanilide
Acetamide, N-(4-(2-chloroacetyl)phenyl)-
4-acetaminophenacyl chloride
Acetanilide, 4'-(chloroacetyl)-
CCRIS 130
Tox21_302954
4-(2-Chloroacetyl)acetanilide
4'-Chloroacetyl (acetanilide)
4-(Chloroacetyl)acetanilide
DTXCID20294
CS-0204309
4'-(Chloracetyl)acetanilide
4'-CHLOROACETYL(ACETANILIDE)
1-Acetamido-4-chloroacetylbenzene

MDL Number

MFCD00040869

Customs Code

2925190090

FAQ

What are the physical and chemical properties of N-(4-Chlorophenyl)-3-oxobutanamide (CAS: 140-49-8)?

N-(4-Chlorophenyl)-3-oxobutanamide (CAS: 140-49-8) is a white crystalline solid. Its molecular weight is approximately 210.01 g/mol. This compound is slightly soluble in water and has good solubility in organic solvents such as ethanol and acetonitrile. It is moderately reactive, particularly towards nucleophiles and bases, and it can undergo amide hydrolysis under basic conditions.

How is N-(4-Chlorophenyl)-3-oxobutanamide (CAS: 140-49-8) typically synthesized?

N-(4-Chlorophenyl)-3-oxobutanamide (CAS: 140-49-8) can be synthesized by reacting 4-chlorophenylacetic acid with acetic anhydride in the presence of a catalytic amount of a Lewis acid such as aluminum trichloride. The reaction is typically conducted in a non-polar organic solvent like toluene under reflux conditions. The yield is usually around 80-85%, and the product can be isolated by recrystallization from ethanol.

What industries use N-(4-Chlorophenyl)-3-oxobutanamide (CAS: 140-49-8)?

N-(4-Chlorophenyl)-3-oxobutanamide (CAS: 140-49-8) is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various drugs. It is also utilized in the polymer industry for its amide functionality, which can be used in the production of coatings and adhesives. Additionally, it can be employed in the manufacturing of sensors and semiconductors due to its chemical reactivity.

What precautions should be taken when handling N-(4-Chlorophenyl)-3-oxobutanamide (CAS: 140-49-8)?

When handling N-(4-Chlorophenyl)-3-oxobutanamide (CAS: 140-49-8), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up using absorbent materials and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal guidelines.