methyl 4-chloro-4-oxobutanoate

Basic Information

View in Editor

CAS Number

1490-25-1

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 Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

65°C/3mmHg

Refractive Index

n20/D 1.44(lit.)

SMILES

View in Editor

COC(=O)CCC(=O)Cl

InChI

InChI=1S/C5H7ClO3/c1-9-5(8)3-2-4(6)7/h2-3H2,1H3

InChIKey

SRXOJMOGPYFZKC-UHFFFAOYSA-N

LogP

0.7049999999999998

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

121

Safety Information

View Safety Information

GHS Hazard Pictograms

H314

Hazard Statement

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

Hazard Class

Class 8 Class 8

Sensitiveness

sensitive to humidity

Synonyms & References

English

3-carbomethoxy-propionyl chloride
1490-25-1
3-methoxycarbonylpropionyl chloride
EINECS 216-077-0
M2850
3-carbometoxy propionyl chloride
DTXSID7061728
methyl 3-(chloroformyl)propanoate
3-(Methoxycarbonyl)propanoyl chloride; 3-(Methoxycarbonyl)propionyl chloride; 3-Carbomethoxypropanoyl chloride; 3-Chlorocarbonylpropionic acid methyl ester
3-carbomethoxy propionylchloride
3-methoxycarbonyl-propanoyl chloride
NS00021676
AS-54552
methyl 3-(chlorocarbonyl)propanoate
3-carbomethoxypropionylchloride
methyl-4-chloro-4-oxobutyrate
SCHEMBL124614
Methyl 4-chloro-4-oxobutyrate
W-108094
methyl 4-chloro-4-oxobutanoate
NSC 10757
4-chloro-4-oxobutyric acid methyl ester
3-chlorocarbonyl-propionic acid methyl ester
methyl 3-chlorocarbonylpropionate
NSC10757
Butanoic acid, 4-chloro-4-oxo-, methyl ester
3-(methoxycarbonyl)-propionyl chloride
methyl-4-chloro-4-oxo-butanoate
methyl4-chloro-4-oxobutanoate
BB 0241838
Methyl 3-(chloroformyl)propionate

MDL Number

MFCD00000750

Customs Code

2918300090

FAQ

What are the physical and chemical properties of methyl 4-chloro-4-oxobutanoate (CAS: 1490-25-1)?

Methyl 4-chloro-4-oxobutanoate (CAS: 1490-25-1) is a white crystalline solid with a molecular weight of approximately 160.54 g/mol. It is slightly soluble in water but readily soluble in organic solvents like ethanol and acetone. This compound exhibits good reactivity, particularly towards nucleophilic substitution and condensation reactions.

How is methyl 4-chloro-4-oxobutanoate (CAS: 1490-25-1) typically synthesized?

Methyl 4-chloro-4-oxobutanoate (CAS: 1490-25-1) is typically synthesized via the condensation of 4-chlorobutyraldehyde with methyl acetate in the presence of a Lewis acid catalyst, such as boron trifluoride. The reaction is carried out at room temperature, yielding a high selectivity and good yield.

What industries use methyl 4-chloro-4-oxobutanoate (CAS: 1490-25-1)?

Methyl 4-chloro-4-oxobutanoate (CAS: 1490-25-1) is primarily used in the pharmaceutical industry for the synthesis of certain drugs. It also finds applications in the development of sensors and as a precursor in the production of some intermediates for the polymer industry.

What precautions should be taken when handling methyl 4-chloro-4-oxobutanoate (CAS: 1490-25-1)?

When handling methyl 4-chloro-4-oxobutanoate (CAS: 1490-25-1), appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. The substance should be used in a well-ventilated area or a fume hood. Spills should be handled with care, and disposal should follow local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.