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

Name: 4-(3-Fluorophenyl)-4-oxobutanoic acid
Brand: ChemScene
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CAS No. 69797-46-2
Cat. No. CS-M0805
Molecule weight196.18
Purity≥98%
MDL No.MFCD01320062

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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4-(3-Fluorophenyl)-4-oxobutanoic acid|CS-M0805

Structure of 69797-46-2

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General Information

CAS No. 69797-46-2
Cat. No. CS-M0805
Purity ≥98%
MDL No. MFCD01320062
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₉FO₃
Molecular Weight 196.18
Synonym(s) 4-(3-FLUOROPHENYL)-4-OXOBUTYRIC ACID
SMILES O=C(O)CCC(C1=CC(F)=CC=C1)=O

Description

4-(3-Fluorophenyl)-4-oxobutanoic acid features a conjugated ketone and carboxylic acid group flanked by a fluorinated phenyl moiety, enabling direct integration into bioactive molecule scaffolds. This electron-deficient β-keto acid serves as a key building block for pharmaceutical intermediates and synthetic probes requiring metabolic stability and controlled reactivity under standard conditions.

Application

4-(3-Fluorophenyl)-4-oxobutanoic acid serves as a versatile building block for constructing bioactive heterocycles and functionalized aliphatic chains. Its α,β-unsaturated ketone motif enables reliable Michael additions and aldol-type condensations, while the carboxylic acid facilitates derivatization via amide or ester formation. The molecule exhibits good bench stability and tolerates common functional groups, making it suitable for iterative synthesis in medicinal chemistry workflows.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P280-P302+P352

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Computational Chemistry Data

TPSA 54.37
LogP 1.8732
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 4

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Functional Group Ketone

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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

CAS No. 69797-46-2

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