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CS-W001157 4
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2-chloro-4-methoxypyrimidine-5-carbonitrile

  • CAS No. 1106295-93-5

  • Cat. No. CS-W000787
  • Molecule weight169.57
  • Purity≥98%
  • MDL No.MFCD16250650

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

2-chloro-4-methoxypyrimidine-5-carbonitrile|CS-W000787

Structure of 1106295-93-5

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General Information

  • CAS No. 1106295-93-5
  • Cat. No. CS-W000787
  • Purity ≥98%
  • MDL No. MFCD16250650
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₄ClN₃O
  • Molecular Weight 169.57
  • Synonym(s) None
  • SMILES COc1nc(Cl)ncc1C#N

Description

2-Chloro-4-methoxypyrimidine-5-carbonitrile features a pyrimidine core bearing strategically positioned chloro, methoxy, and nitrile groups, enabling selective functionalization in heterocyclic synthesis. This electron-deficient scaffold integrates readily into pharmaceutical intermediates and agrochemical building blocks, offering enhanced reactivity under standard coupling conditions.

Application

2-Chloro-4-methoxypyrimidine-5-carbonitrile serves as a versatile building block in heterocyclic synthesis, enabling efficient construction of pyrimidine-based scaffolds. Its orthogonal functionality—reactive chloride at C2, methoxy group at C4, and electron-withdrawing nitrile at C5—facilitates sequential functionalization via nucleophilic substitution, cross-coupling, or cyclization reactions. The compound exhibits good bench stability and is readily purified by flash chromatography, making 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

Quality Control

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Computational Chemistry Data

  • TPSA   58.8
  • LogP   1.01028
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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