Ethyl 2-(2,4,6-trichloropyrimidin-5-yl)acetate

CAS No. 889944-72-3
Cat. No. CS-W006485
Purity≥98%
MDL No.MFCD07776806

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Ethyl 2-(2,4,6-trichloropyrimidin-5-yl)acetate|CS-W006485

Structure of 889944-72-3

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Description

Ethyl 2-(2,4,6-trichloropyrimidin-5-yl)acetate features a trichloropyrimidine core paired with an acetyl ester side chain, enabling direct incorporation into heterocyclic synthesis. The electron-deficient pyrimidine ring facilitates nucleophilic substitution, while the ethyl ester group supports subsequent derivatization under standard conditions. This compound serves as a key building block for pharmaceutical intermediates and agrochemicals requiring halogenated heterocycles.

Application

Ethyl 2-(2,4,6-trichloropyrimidin-5-yl)acetate serves as a versatile building block for the synthesis of pyrimidine-based heterocycles, enabling efficient access to medicinally relevant scaffolds. The trichloropyrimidine core exhibits high electrophilicity, facilitating nucleophilic substitution with amines, thiols, and alcohols under mild conditions. Its ethyl ester functionality supports further derivatization via hydrolysis or reduction. Bench-stable and readily purified by column chromatography, it functions reliably in multi-step syntheses requiring functional group tolerance and predictable reactivity.

General Information

CAS No. 889944-72-3
Cat. No. CS-W006485
Purity ≥98%
MDL No. MFCD07776806
Storage -20°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₇Cl₃N₂O₂
Molecular Weight 269.51
Synonym(s) Ethyl 2-(2,4,6-Trichloro-5-pyrimidinyl)acetate
SMILES O=C(OCC)CC1=C(Cl)N=C(Cl)N=C1Cl

Computational Chemistry Data

TPSA 52.08
LogP 2.5424
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 3

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-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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Ethyl 2-(2,4,6-trichloropyrimidin-5-yl)acetate

CAS No. 889944-72-3

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