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

Basic Information

View in Editor

CAS Number

69797-46-2

Molecular Formula

C10H9FO3

Molecular Weight

196.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

86-88°C

SMILES

View in Editor

C1=CC(=CC(=C1)F)C(=O)CCC(=O)O

InChI

InChI=1S/C10H9FO3/c11-8-3-1-2-7(6-8)9(12)4-5-10(13)14/h1-3,6H,4-5H2,(H,13,14)

InChIKey

HHVYNFFVNGZSNG-UHFFFAOYSA-N

LogP

1.8732

Topological Polar Surface Area

54.37 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

227

Synonyms & References

English

HHVYNFFVNGZSNG-UHFFFAOYSA-N
AKOS010909594
Z838955774
CS-M0805
4-(3-Fluorophenyl)-4-oxobutyricacid
DTXSID80374650
4-(3-fluorophenyl)-4-oxobutanoic acid
4-(3-fluoro-phenyl)-4-oxo-butyric acid
3-(3-Fluorobenzoyl)propionic acid
AB9385
CS-13510
SY143661
MFCD01320062
SCHEMBL2691520
69797-46-2
4-(3-Fluorophenyl)-4-oxobutyric acid
EN300-119378
3-(m-fluorobenzoyl)propionic acid
4-(3'-fluorophenyl)-4-oxo-butanoic acid
AC1MBZOZ
AG-G-72315
CTK5D1366
KB-71499
SureCN2691520
3253AH
4-(3-fluorophenyl)-4-oxobutanoicacid
NE34709
Z1582263852

MDL Number

MFCD01320062

Customs Code

2918300090

FAQ

What are the physical and chemical properties of 4-(3-Fluorophenyl)-4-oxobutanoic acid (CAS: 69797-46-2)?

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.

How is 4-(3-Fluorophenyl)-4-oxobutanoic acid (CAS: 69797-46-2) typically synthesized?

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.

What industries use 4-(3-Fluorophenyl)-4-oxobutanoic acid (CAS: 69797-46-2)?

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.

What precautions should be taken when handling 4-(3-Fluorophenyl)-4-oxobutanoic acid (CAS: 69797-46-2)?

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.