1-(4-Fluorobenzyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid

Name: 1-(4-Fluorobenzyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid
Brand: ChemScene
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CAS No. 941869-20-1
Cat. No. CS-0070212
Purity≥98%
MDL No.None

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1-(4-Fluorobenzyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid|CS-0070212

Structure of 941869-20-1

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General Information

CAS No. 941869-20-1
Cat. No. CS-0070212
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₁₀FNO₃
Molecular Weight 247.22
Synonym(s) None
SMILES O=C1C=CC(C(O)=O)=CN1CC(C=C2)=CC=C2F

Description

This 1-(4-fluorobenzyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid features a fluorinated benzyl group conjugated to a reactive dihydropyridine core, enabling efficient integration into bioactive scaffolds. The electron-deficient pyridine ring facilitates nucleophilic addition, while the carboxylic acid moiety supports direct coupling or derivatization under standard conditions.

Application

1-(4-Fluorobenzyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid serves as a versatile dihydropyridine scaffold for medicinal chemistry applications. Its structure features a fluorinated benzyl group and a reactive 6-oxo functionality, enabling facile derivatization via condensation, alkylation, or cyclization reactions. The carboxylic acid moiety supports direct coupling or salt formation, enhancing solubility and purification. Bench-stable and compatible with standard synthetic workflows, it functions as a key building block in the development of heterocyclic compounds with potential biological activity.

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

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Computational Chemistry Data

TPSA 59.3
LogP 1.7339
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-(4-Fluorobenzyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid

CAS No. 941869-20-1

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