methyl 2-chloro-3-oxobutanoate

Basic Information

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CAS Number

4755-81-1

Molecular Formula

C5H7ClO3

Molecular Weight

150.56 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

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

−33-−32.7 °C

Boiling Point

86°C/21mmHg

Water Solubility

50 g/L (20 ºC)

Refractive Index

n20/D 1.446(lit.)

SMILES

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

InChI

InChI=1S/C5H7ClO3/c1-3(7)4(6)5(8)9-2/h4H,1-2H3

InChIKey

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LogP

0.3557999999999998

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

132

Safety Information

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Hazard Statement

H227 Combustible liquid
Flammable liquids

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Synonyms & References

English

4755-81-1
Methyl-alpha-Chloroacetoacetate
SCHEMBL269783
METHYL .ALPHA.-CHLOROACETOACETATE
AKOS009156889
vitaminb1
Butanoic acid, 2-chloro-3-oxo-, methyl ester
2-chloro-3-oxo-butyric acid methyl ester
2-chloroacetoacetate methyl ester
Methyl 2-chloro-3-oxobutanoate #
2-Chloroacetoacetic Acid Methyl Ester
METHYL 2-CHLORO-3-OXOBUTYRATE
FT-0635430
2-chloro-3-oxobutyric acid methyl ester
BS-17095
InChI=1/C5H7ClO3/c1-3(7)4(6)5(8)9-2/h4H,1-2H3
MFCD00008757
Methyl 2-chloroacetoacetate
Q27236497
EN300-48598
EINECS 225-286-6
UNII-09T3687932
09T3687932
NS00121799
methyl-2-chloroacetoacetate
GYQRIAVRKLRQKP-UHFFFAOYSA-
2-Aminobenzoesaure
DTXSID10884111
Methyl 2-chloro-3-oxobutanoate
SY051760
CS-W018135

MDL Number

MFCD00008757

Customs Code

29183000

FAQ

What are the physical and chemical properties of methyl 2-chloro-3-oxobutanoate (CAS: 4755-81-1)?

Methyl 2-chloro-3-oxobutanoate (CAS: 4755-81-1) is a crystalline compound with a molecular weight of approximately 147.57 g/mol. It is poorly soluble in water but soluble in organic solvents. Chemically, it is reactive towards nucleophiles and can undergo substitution reactions. It is stable under normal conditions but should be stored in a cool, dry place away from direct sunlight.

How is methyl 2-chloro-3-oxobutanoate (CAS: 4755-81-1) typically synthesized?

Methyl 2-chloro-3-oxobutanoate can be synthesized through the condensation of methyl acetoacetate with phosphorus oxychloride in the presence of a drying agent. The reaction typically yields a high purity product with good selectivity and a good yield of about 85%. The reaction is carried out under anhydrous conditions to avoid hydrolysis.

What industries use methyl 2-chloro-3-oxobutanoate (CAS: 4755-81-1)?

Methyl 2-chloro-3-oxobutanoate (CAS: 4755-81-1) is used in the pharmaceutical industry for the synthesis of certain drugs due to its reactivity and specific functional groups. It is also utilized in the polymer industry for the modification of polymer properties and in sensor technology for detection of specific analytes.

What precautions should be taken when handling methyl 2-chloro-3-oxobutanoate (CAS: 4755-81-1)?

When handling methyl 2-chloro-3-oxobutanoate (CAS: 4755-81-1), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be used in a well-ventilated area or within a fume hood. Spills should be cleaned up with appropriate absorbent materials and disposed of according to local regulations. It is advisable to refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions.