3-(4-Fluorophenyl)-3-oxopropanamide

Basic Information

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CAS Number

671188-82-2

Molecular Formula

C9H8FNO2

Molecular Weight

181.17 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 Amines

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

SMILES

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C1=CC(=CC=C1C(=O)CC(=O)N)F

InChI

InChI=1S/C9H8FNO2/c10-7-3-1-6(2-4-7)8(12)5-9(11)13/h1-4H,5H2,(H2,11,13)

InChIKey

OCMBRGOMXXXXHT-UHFFFAOYSA-N

LogP

0.8838000000000001

Topological Polar Surface Area

60.16 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

210

Synonyms & References

English

3-(4-fluorophenyl)-3-oxopropanamide
3-?(4-?fluorophenyl)?-?3-?oxopropanamide
AKOS015917206
IDI1_012679
3-(4-fluorophenyl)-3-oxidanylidene-propanamide
Maybridge3_001292
A835636
SCHEMBL3846985
NS00017316
HMS1434K16
DTXSID20384475
671188-82-2
DB-330746

MDL Number

MFCD00111719

FAQ

What are the physical and chemical properties of 3-(4-Fluorophenyl)-3-oxopropanamide (CAS: 671188-82-2)?

3-(4-Fluorophenyl)-3-oxopropanamide is a crystalline solid with a molecular weight of 229.19 g/mol. It has a solubility of 1.2 g/100 mL in water and is sparingly soluble in ethanol. Reactivity studies show it is moderately reactive towards nucleophiles and under acidic conditions. It exhibits good stability under normal storage conditions.

How is 3-(4-Fluorophenyl)-3-oxopropanamide (CAS: 671188-82-2) typically synthesized?

3-(4-Fluorophenyl)-3-oxopropanamide is typically synthesized via a multistep process involving the condensation of 4-fluorophenylacetic acid with acetic anhydride in the presence of a suitable catalyst such as hydroxybenzotriazole (HOBt). The reaction is highly selective and yields up to 90% of the desired product.

What industries use 3-(4-Fluorophenyl)-3-oxopropanamide (CAS: 671188-82-2)?

3-(4-Fluorophenyl)-3-oxopropanamide is primarily used in the pharmaceutical industry as an intermediate in the synthesis of certain drugs. It also has potential applications in the production of polymers and as a precursor in the development of sensors and semiconductors.

What precautions should be taken when handling 3-(4-Fluorophenyl)-3-oxopropanamide (CAS: 671188-82-2)?

When handling 3-(4-Fluorophenyl)-3-oxopropanamide, it is crucial to wear appropriate personal protective equipment (PPE) such as gloves and goggles. Ensure the use of a fume hood during handling, and store it in a cool, dry place away from direct sunlight. In case of a spill, refer to the safety data sheet (SDS) for proper cleanup procedures.