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CS-W001157 4
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Ethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate

  • CAS No. 108381-23-3

  • Cat. No. CS-0136038
  • Purity≥96%
  • MDL No.MFCD22572316

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

Ethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate|CS-0136038

Structure of 108381-23-3

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General Information

  • CAS No. 108381-23-3
  • Cat. No. CS-0136038
  • Purity ≥96%
  • MDL No. MFCD22572316
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁ClN₂O₂
  • Molecular Weight 214.65
  • Synonym(s) None
  • SMILES O=C(C1=C(C)N=C(Cl)N=C1C)OCC

Description

Ethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate features a pyrimidine core with orthogonal functional handles: a chloro group at C2 and an ethyl ester at C5, flanked by methyl substituents at C4 and C6. This configuration enables direct coupling in heterocyclic synthesis, particularly in medicinal chemistry scaffolds requiring electron-deficient pyrimidines. The compound exhibits stability under standard conditions and integrates readily into cross-coupling and nucleophilic substitution workflows.

Application

Ethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient construction of pyrimidine-based scaffolds. The electrophilic chlorine at C2 facilitates nucleophilic substitution reactions, while the ester group supports further functionalization. Its bench-stable nature and compatibility with diverse coupling partners make it well-suited for medicinal chemistry campaigns and process-scale applications.

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   1.92354
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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