Ethyl 2-chloro-5-fluoropyrimidine-4-carboxylate

Name: Ethyl 2-chloro-5-fluoropyrimidine-4-carboxylate
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CAS No. 1246632-85-8
Cat. No. CS-0099902
Molecule weight204.59
Purity≥95%
MDL No.MFCD30742681

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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Ethyl 2-chloro-5-fluoropyrimidine-4-carboxylate|CS-0099902

Structure of 1246632-85-8

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General Information

CAS No. 1246632-85-8
Cat. No. CS-0099902
Purity ≥95%
MDL No. MFCD30742681
Storage 4°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₆ClFN₂O₂
Molecular Weight 204.59
Synonym(s) 4-Pyrimidinecarboxylic acid, 2-chloro-5-fluoro-, ethyl ester
SMILES O=C(C1=NC(Cl)=NC=C1F)OCC

Description

Ethyl 2-chloro-5-fluoropyrimidine-4-carboxylate is a bench-stable, moisture-tolerant heterocyclic building block featuring orthogonal reactive handles. The electron-deficient pyrimidine core enables efficient coupling reactions, while the chloro and fluoro substituents facilitate selective functionalization. This compound integrates readily into pharmaceutical intermediates and agrochemical scaffolds under standard conditions.

Application

Ethyl 2-chloro-5-fluoropyrimidine-4-carboxylate serves as a versatile building block in medicinal chemistry, enabling efficient construction of pyrimidine-based scaffolds. Its orthogonal reactivity—facilitated by the chlorine at C2 and fluorine at C5—supports selective nucleophilic substitution and transition-metal-catalyzed coupling reactions. The ester group provides compatibility with standard synthetic transformations, while the compound exhibits excellent bench stability and ease of purification, making it ideal for scalable synthesis of kinase inhibitors and other bioactive heterocycles.

Safety Information

Download SDS

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-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 52.08
LogP 1.4458
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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Ethyl 2-chloro-5-fluoropyrimidine-4-carboxylate

CAS No. 1246632-85-8

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