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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 889944-72-3

  • Cat. No. CS-W006485
  • Molecule weight269.51
  • Purity≥98%
  • MDL No.MFCD07776806

*For research and further manufacturing use only, not for direct human use.

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

Structure of 889944-72-3

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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

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.

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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Computational Chemistry Data

  • TPSA   52.08
  • LogP   2.5424
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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