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CS-W001157 4
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Ethyl 4,6-dichloro-2-(methylthio)pyrimidine-5-carboxylate

  • CAS No. 959070-42-9

  • Cat. No. CS-W003838
  • Molecule weight267.13
  • Purity≥97%
  • MDL No.MFCD12828684

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

Ethyl 4,6-dichloro-2-(methylthio)pyrimidine-5-carboxylate|CS-W003838

Structure of 959070-42-9

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General Information

  • CAS No. 959070-42-9
  • Cat. No. CS-W003838
  • Purity ≥97%
  • MDL No. MFCD12828684
  • Storage -20°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈Cl₂N₂O₂S
  • Molecular Weight 267.13
  • Synonym(s) Ethyl 4,6-dichloro-2-(methylthio)
  • SMILES O=C(C1=C(Cl)N=C(SC)N=C1Cl)OCC

Description

Ethyl 4,6-dichloro-2-(methylthio)pyrimidine-5-carboxylate features a highly reactive pyrimidine core with orthogonal halogen and sulfide functionalities. This electron-deficient scaffold enables direct functionalization at C4 and C6 positions, facilitating efficient coupling reactions. The methylthio group enhances solubility and stability under standard bench conditions. This compound serves as a key intermediate in the synthesis of kinase inhibitors and antiviral agents.

Application

Ethyl 4,6-dichloro-2-(methylthio)pyrimidine-5-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient construction of pyrimidine-based scaffolds. The dichloro substitution pattern facilitates sequential nucleophilic displacement reactions, while the methylthio group offers orthogonal reactivity for selective transformations. Its bench-stable nature and compatibility with standard coupling conditions make it ideal for medicinal chemistry campaigns requiring precise functionalization of core pyrimidine frameworks.

Synthesis

  • Route1

    References

    • EP2471793 A1, ;
  • Route2

    References

    • EP2471793 A1, ;

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   2.682
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   3

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