N-Benzylacetoacetamide

Basic Information

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CAS Number

882-36-0

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

Melting Point

101.0 to 105.0 deg-C

Boiling Point

399.4 °C at 760 mmHg

Density

1.0930

Flash Point

399.4 °C at 760 mmHg

Refractive Index

1.522

SMILES

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CC(=O)CC(=O)NCC1=CC=CC=C1

InChI

InChI=1S/C11H13NO2/c1-9(13)7-11(14)12-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,12,14)

InChIKey

KOHNUEXAOQRRPI-UHFFFAOYSA-N

LogP

1.2819

Topological Polar Surface Area

46.17 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

207

Synonyms & References

English

N-Benzyl-3-oxobutanamide
AAPCT
Pigment assistant YH160
Acetoaceticbenzylamide
N-Benzylacetoacetamide (AABA)
N-Benzylacetoacetamide
Benzyl Acetoacetic Amide
ACETOACETBENZYLAMIDE
ACETOACET-BENZYLAMINE
Acetoacetobenzylamide
benzyl acetoacetamide
N-(phenylmethyl)acetoacetamide
N-ACETOACETYLBENZYLAMINE
N-Benzyl-3-oxobutyramide
N-benzyl-acetoacetamide
Butanamide, 3-oxo-N-(phenylmethyl)-
N-Acetoacetabenzylamine
T6Y9L5W6QO
3-oxo-N-benzylbutanamide
Acetoacetamide, N-benzyl-
NSC60240
N-Benzylacetoacetamid
Maybridge1_002517
DivK1c_001269
HMS548K09
KOHNUEXAOQRRPI-UHFFFAOYSA-N
Acetoacetamide, N-benzyl
N-Acetoacetylbenzylamine
N-benzyl-3-oxobutanamide
3-Oxo-N-(phenylmethyl)butanamide (ACI)
Acetoacetamide, N-benzyl- (7CI, 8CI)

MDL Number

MFCD00026260

Customs Code

2924299090

FAQ

What are the physical and chemical properties of N-Benzylacetoacetamide (CAS: 882-36-0)?

N-Benzylacetoacetamide (CAS: 882-36-0) is a white crystalline solid with a molecular weight of 213.24 g/mol. It is slightly soluble in water and has good solubility in organic solvents like methanol and ethanol. It is relatively stable and non-toxic, but reacts readily with strong acids. Its key physicochemical properties include a melting point of 128-129°C and a boiling point of 300°C at 760 mm Hg.

How is N-Benzylacetoacetamide (CAS: 882-36-0) typically synthesized?

N-Benzylacetoacetamide (CAS: 882-36-0) is typically synthesized by reacting benzylamine with acetoacetic acid. The reaction is carried out in an aqueous medium at room temperature with a yield of about 85%. The process is catalyzed by a base like sodium hydroxide, and the product is isolated by crystallization from the reaction mixture.

What industries use N-Benzylacetoacetamide (CAS: 882-36-0)?

N-Benzylacetoacetamide (CAS: 882-36-0) is used in various industries. It is a key precursor in the synthesis of pharmaceuticals, particularly in the production of certain antibiotics and antiviral drugs. It also finds applications in the polymer industry for the production of high-performance polymers, and in the sensor industry for the development of chemical sensors. Additionally, it is used in the semiconductor industry for etching processes.

What precautions should be taken when handling N-Benzylacetoacetamide (CAS: 882-36-0)?

When handling N-Benzylacetoacetamide (CAS: 882-36-0), it is important to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. Work should be conducted in a well-ventilated area or a fume hood. In case of a spill, handle it with care and use absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed information and emergency procedures. This compound is non-toxic but can react with strong acids, so avoid contact with acids and handle with care.