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CS-W001157 4
Total: USD 88.00

Ethyl 5,6-dichloropyrimidine-4-carboxylate

  • CAS No. 1097250-57-1

  • Cat. No. CS-M1613
  • Molecule weight221.04
  • Purity≥95%
  • MDL No.MFCD22124090

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

Ethyl 5,6-dichloropyrimidine-4-carboxylate|CS-M1613

Structure of 1097250-57-1

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General Information

  • CAS No. 1097250-57-1
  • Cat. No. CS-M1613
  • Purity ≥95%
  • MDL No. MFCD22124090
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆Cl₂N₂O₂
  • Molecular Weight 221.04
  • Synonym(s) 4-Pyrimidinecarboxylic acid, 5,6-dichloro-, ethyl ester
  • SMILES ClC1=NC=NC(C(OCC)=O)=C1Cl

Description

Ethyl 5,6-dichloropyrimidine-4-carboxylate is a bench-stable, electron-deficient pyrimidine derivative featuring two chlorine substituents at the 5- and 6-positions. This configuration enables selective nucleophilic substitution reactions, facilitating efficient access to functionalized pyrimidine scaffolds in medicinal chemistry and agrochemical synthesis.

Application

Ethyl 5,6-dichloropyrimidine-4-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted pyrimidines via nucleophilic displacement. The dichloro substitution pattern facilitates sequential functionalization at C5 and C6, while the ester group supports further derivatization. Its bench stability and compatibility with standard reaction conditions make it well-suited for medicinal chemistry and process development workflows.

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   52.08
  • LogP   1.9601
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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