methyl 3-chloro-2,2-dimethyl-3-oxopropanoate | CAS No. 64507-20-6

methyl 3-chloro-2,2-dimethyl-3-oxopropanoate

Basic Information

CAS Number

64507-20-6

Molecular Formula

C6H9ClO3

Molecular Weight

164.59 g/mol

AD

Basic Physical Properties

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

InChI

InChI=1S/C6H9ClO3/c1-6(2,4(7)8)5(9)10-3/h1-3H3

InChIKey

YHZPQWZDBDVTIT-UHFFFAOYSA-N

LogP

0.9509999999999998

Topological Polar Surface Area

43.370000000000005 Ų

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

162

Synonyms & References

English

  • Propanoic acid, 3-chloro-2,2-dimethyl-3-oxo-, methyl ester
  • EN300-2008419
  • DTXSID00551820
  • 64507-20-6
  • SCHEMBL21883869
  • Y13556
  • Methyl 3-chloro-2,2-dimethyl-3-oxopropanoate
  • methyl 3-chloro-2,2-dimethyl-3-oxopropanoate

MDL Number

MFCD28517441

FAQ

What are the physical and chemical properties of methyl 3-chloro-2,2-dimethyl-3-oxopropanoate (CAS: 64507-20-6)?

Methyl 3-chloro-2,2-dimethyl-3-oxopropanoate is a colorless to pale yellow liquid at room temperature. It has a molecular weight of approximately 160.58 g/mol. The compound is slightly soluble in water but soluble in common organic solvents like ethanol, acetone, and dichloromethane. It is known for its reactivity towards nucleophiles, particularly chloride displacement reactions.

How is methyl 3-chloro-2,2-dimethyl-3-oxopropanoate (CAS: 64507-20-6) typically synthesized?

Methyl 3-chloro-2,2-dimethyl-3-oxopropanoate is usually synthesized via the substitution of the methyl group in 2,2-dimethyl-3-oxopropanoic acid with a chlorine atom. This can be achieved using thionyl chloride in the presence of a base like pyridine or triethylamine. The reaction is typically carried out in a solvent like dichloromethane or toluene, yielding a high yield of the target compound.

What industries use methyl 3-chloro-2,2-dimethyl-3-oxopropanoate (CAS: 64507-20-6)?

Methyl 3-chloro-2,2-dimethyl-3-oxopropanoate is utilized in various industries. It serves as an intermediate in the synthesis of pharmaceuticals, particularly analgesics and antipyretics. Additionally, it is used in the production of polymers and as a building block in the development of chemical sensors and materials for electronic applications.

What precautions should be taken when handling methyl 3-chloro-2,2-dimethyl-3-oxopropanoate (CAS: 64507-20-6)?

When handling methyl 3-chloro-2,2-dimethyl-3-oxopropanoate, 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 fume hood to minimize exposure to volatile organic compounds. Spills should be addressed promptly using appropriate spill cleanup materials. Always consult the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.

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