Methyl 2-(2,3-Dichlorobenzylidene)acetoacetate

Basic Information

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CAS Number

74073-22-6

Molecular Formula

C12H10Cl2O3

Molecular Weight

273.11 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 Esters

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

81-83 ºC

Boiling Point

383.6°C at 760 mmHg

Density

1.337

SMILES

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CC(=O)C(=CC1=C(C(=CC=C1)Cl)Cl)C(=O)OC

InChI

InChI=1S/C12H10Cl2O3/c1-7(15)9(12(16)17-2)6-8-4-3-5-10(13)11(8)14/h3-6H,1-2H3/b9-6+

InChIKey

QQXPSPWWWCQBFM-RMKNXTFCSA-N

LogP

3.13880

Complexity

339

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Butanoic acid, 2-[(2,3-dichlorophenyl)methylene]-3-oxo-, methyl ester, (E)-
MFCD00800930
Methyl 2-(2 pound not3-dichlorobenzylidene)-3-oxobutanoate
(E)-methyl 2-(2,3-dichlorobenzylidene)-3-oxobutanoate
BCP10397
AC-5619
2-[(2,3-Dichlorophenyl)methylene]-3-oxobutanoic acid methyl ester; (E)-methyl 2-(2,3-dichlorobenzylidene)-3-oxobutanoate;Methyl 2-(2,3-dichlorobenzylidene)-3-oxobutanoate
DS-3810
Butanoic acid, 2-[(2,3-dichlorophenyl)methylene]-3-oxo-, methyl ester, (2E)-
Methyl (2E)-2-[(2,3-dichlorophenyl)methylene]-3-oxobutanoate
2,3-dichlorobenzylideneacetoacetate
AKOS016010250
Methyl 2-(2,3-dichlorobenzylidine)acetoacetate
74073-22-6
P4N7V4TD4W
CS-0155157
SCHEMBL10387257
Methyl-2-(2,3-dichlorbenzyliden)acetoacetate
68064-70-0
DTXSID10473827
Methyl (2E)-2-[(2,3-dichlorophenyl)methylidene]-3-oxobutanoate
A9515
Methyl 2-(2,3-dichlorobenzylidene)-3-oxobutanoate
2-[(2,3-Dichlorophenyl)methylene]-3-oxobutanoic acid methyl ester
Methyl 2-(2,3-Dichlorobenzylidine)Acetoacetate
2,3-DICHLOROBENZILIDENE METHYL ACETOACETATE
methyl (2E)-2-[(2,3-dichlorophenyl)methylidene]-3-oxobutanoate
Methyl 2-(2,3-Dichlorobenzylidene)acetoacetate
AK114575
PubChem23374
Methyl2-(2,3-dichlorobenzylidine)acetoacetate

MDL Number

MFCD00800930

Customs Code

2918300090

FAQ

What are the physical and chemical properties of Methyl 2-(2,3-Dichlorobenzylidene)acetoacetate (CAS: 74073-22-6)?

Methyl 2-(2,3-Dichlorobenzylidene)acetoacetate (CAS: 74073-22-6) is a crystalline compound with a molecular weight of approximately 334.02 g/mol. It has a low water solubility, with a maximum solubility of 0.1 g/L at 20°C. The compound is highly reactive due to its chlorinated benzylidene group, making it susceptible to degradation under basic conditions. It is insoluble in water but soluble in organic solvents such as acetone and dichloromethane.

How is Methyl 2-(2,3-Dichlorobenzylidene)acetoacetate (CAS: 74073-22-6) typically synthesized?

Methyl 2-(2,3-Dichlorobenzylidene)acetoacetate (CAS: 74073-22-6) is typically synthesized via a condensation reaction of 2,3-dichlorobenzaldehyde and acetoacetic ester. This reaction is often catalyzed by a Lewis acid such as aluminum trichloride in anhydrous conditions to achieve high yield and selectivity. The process involves careful control of temperature and reaction time to ensure optimal product formation.

What industries use Methyl 2-(2,3-Dichlorobenzylidene)acetoacetate (CAS: 74073-22-6)?

Methyl 2-(2,3-Dichlorobenzylidene)acetoacetate (CAS: 74073-22-6) is used in the pharmaceutical industry for the synthesis of certain medicinal compounds. It is also utilized in the semiconductor and electronics industry for the production of photoresists and other functional materials. Additionally, it is employed in the polymer industry as a precursor for the synthesis of various polymer additives and surface coatings.

What precautions should be taken when handling Methyl 2-(2,3-Dichlorobenzylidene)acetoacetate (CAS: 74073-22-6)?

When handling Methyl 2-(2,3-Dichlorobenzylidene)acetoacetate (CAS: 74073-22-6), it is essential to wear appropriate personal protective equipment (PPE) such as safety goggles, gloves, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight and moisture. In case of a spill, it should be handled in a well-ventilated area, and the area should be cleaned with an appropriate solvent. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.