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4-(3-Fluorophenyl)-4-oxobutanoic acid(CAS: 69797-46-2)

4-(3-Fluorophenyl)-4-oxobutanoic acid
CAS Number

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Basic Information

Molecular Formula
C10H9FO3
Molecular Weight
196.18 g/mol

Physical Properties

Melting Point
86-88°C

Chemical Identifiers

SMILES
C1=CC(=CC(=C1)F)C(=O)CCC(=O)O
InChIKey
HHVYNFFVNGZSNG-UHFFFAOYSA-N

Database References

MDL Number
MFCD01320062

FAQ

4-(3-Fluorophenyl)-4-oxobutanoic acid (CAS: 69797-46-2) is a white crystalline solid with a molecular weight of approximately 197.16 g/mol. It is sparingly soluble in water and ethanol, and soluble in methanol. Chemically, it exhibits acidic properties due to the carboxylic acid functionality and can react with bases to form its salt. It is stable under normal conditions but should be stored in a cool, dry place away from direct sunlight.
4-(3-Fluorophenyl)-4-oxobutanoic acid is typically synthesized via a multistep process involving the coupling of 3-fluorophenylacetyl chloride with phenylboronic acid followed by a hydrogenation step to introduce the oxo group. Common catalysts used include palladium on carbon, and the overall yield can be up to 70% with good selectivity. The reaction conditions should be carefully controlled to avoid side reactions and ensure high purity.
4-(3-Fluorophenyl)-4-oxobutanoic acid (CAS: 69797-46-2) is primarily used in the pharmaceutical industry for the synthesis of various medicinals. It also has applications in the polymer industry for the synthesis of functional polymers with tailored properties. Additionally, it can be used in the sensor and semiconductor industries for the development of specialized materials and devices.
When handling 4-(3-Fluorophenyl)-4-oxobutanoic acid (CAS: 69797-46-2), it is essential to use personal protective equipment (PPE) including gloves, goggles, and a laboratory coat. This compound should be stored in a cool, dry place, away from direct sunlight and heat sources. In case of a spill, immediately neutralize the spill with an appropriate solution and clean up according to the Material Safety Data Sheet (MSDS). Always consult the safety data sheet for specific handling and disposal instructions.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

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