N-(4-Chloro-2,5-dimethoxyphenyl)-3-oxobutanamide

Basic Information

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CAS Number

4433-79-8

Molecular Formula

C12H14ClNO4

Molecular Weight

271.7 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

106.0 to 110.0 deg-C

Boiling Point

432.7°C at 760 mmHg

Flash Point

215.5ºC

Refractive Index

1.553

SMILES

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COC1=CC(NC(=O)CC(C)=O)=C(OC)C=C1Cl

InChI

InChI=1S/C12H14ClNO4/c1-7(15)4-12(16)14-9-6-10(17-2)8(13)5-11(9)18-3/h5-6H,4H2,1-3H3,(H,14,16)

InChIKey

MOUVJGIRLPZEES-UHFFFAOYSA-N

LogP

2.2748

Topological Polar Surface Area

64.63 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

311

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H332 Harmful if inhaled
Acute toxicity, inhalation

H341 Suspected of causing genetic defects
Germ cell mutagenicity

H412 Harmful to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

N-(4-Chloro-2,5-dimethoxyphenyl)-3-oxobutanamide
Naphthol AS-IRG, CI37613
AcetoAcet-2,5-dimethoxy-4-chloroanilide
AS-IRG
Naphthol AS-IRG
N-(4-CHLORO-2,5-DIMETHOXYPHENYL)ACETOACETAMIDE
2',5'-Dimethoxy-4'-chloro-acetoacetanilide
4'-Chloro-2',5'-dimethoxyacetoacetanilide
1-acetoacetylamino-2,5-dimethoxy-4-chlorobenzene
1-acetoacetylamino-4-chloro-2,5-dimethoxy-benzene
acetoacetamino-2,5-dimethoxy-4-chlorobenzene
Azoic Coupling
chinizol
N-(4-chloro-2,5-dimethoxyphenyl)-3-oxo-butanamide
Naphtol AS-IRG
Naphtol As-lgll
NAPTHOL AS-IRG
Yellow Base GC.
Azoic Coupling Component 44
C.I. 37613
C.I. Azoic Coupling Component No. 44
Naphtanilide LRG
Naphtazol 4J
Naphthol AS 13GH
Butanamide, N-(4-chloro-2,5-dimethoxyphenyl)-3-oxo-
2,5-Dimethoxy-4-chloroacetoacetanilide
C.I. Azoic Coupling Component 44
Acetoacetyl-2,5-dimethoxy-4-chloroanilide
Acetoacetanilide, 4'-chloro-2',5'-dimethoxy-
J086QHJ1OC
DSSTox_CID_9265

MDL Number

MFCD00026256

Customs Code

2924299090

FAQ

What are the physical and chemical properties of N-(4-Chloro-2,5-dimethoxyphenyl)-3-oxobutanamide (CAS: 4433-79-8)?

N-(4-Chloro-2,5-dimethoxyphenyl)-3-oxobutanamide is a white crystalline solid with a molecular weight of approximately 319.14 g/mol. It has a solubility in water of about 1.2 mg/mL. This compound is moderately reactive, particularly under acidic conditions, and is used in various chemical reactions. It is also poorly soluble in common organic solvents like ethanol and acetone.

How is N-(4-Chloro-2,5-dimethoxyphenyl)-3-oxobutanamide (CAS: 4433-79-8) typically synthesized?

N-(4-Chloro-2,5-dimethoxyphenyl)-3-oxobutanamide is typically synthesized through a multi-step process involving the reaction of an intermediate with a carboxylic acid derivative. Commonly, this involves the chloro-substitution of a phenol followed by the formation of the amide bond. The reaction is usually catalyzed by a Lewis acid and requires careful control of temperature and solvent to achieve high yield and selectivity.

What industries use N-(4-Chloro-2,5-dimethoxyphenyl)-3-oxobutanamide (CAS: 4433-79-8)?

N-(4-Chloro-2,5-dimethoxyphenyl)-3-oxobutanamide (CAS 4433-79-8) is primarily used in the pharmaceutical industry for the synthesis of certain drugs. It may also find applications in the production of certain polymers and as a reagent in analytical chemistry. Its specific use cases are limited, but it plays a role in developing new materials and chemical intermediates.

What precautions should be taken when handling N-(4-Chloro-2,5-dimethoxyphenyl)-3-oxobutanamide (CAS: 4433-79-8)?

When handling N-(4-Chloro-2,5-dimethoxyphenyl)-3-oxobutanamide (CAS 4433-79-8), it is essential to wear appropriate personal protective equipment (PPE) such as 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 appropriate absorbent materials and waste should be disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for specific handling instructions.