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CS-W001157 4
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4-Chloro-6-(methoxymethyl)pyrimidine

  • CAS No. 3122-84-7

  • Cat. No. CS-0045696
  • Purity≥95%
  • MDL No.MFCD16707817

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

4-Chloro-6-(methoxymethyl)pyrimidine|CS-0045696

Structure of 3122-84-7

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General Information

  • CAS No. 3122-84-7
  • Cat. No. CS-0045696
  • Purity ≥95%
  • MDL No. MFCD16707817
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₇ClN₂O
  • Molecular Weight 158.59
  • Synonym(s) 6-chloro-4-methoxymethylpyrimidine
  • SMILES COCC1=CC(Cl)=NC=N1

Description

4-Chloro-6-(methoxymethyl)pyrimidine serves as a pivotal heterocyclic scaffold in medicinal chemistry, offering a reactive chloro handle and a polar methoxymethyl side chain. This combination enables direct functionalization and enhanced solubility in synthetic sequences. The molecule demonstrates robust stability under standard bench conditions, facilitating reliable incorporation into target-directed libraries and advanced intermediates.

Application

4-Chloro-6-(methoxymethyl)pyrimidine serves as a versatile building block in medicinal chemistry, enabling efficient construction of pyrimidine-based scaffolds. The chloro group facilitates nucleophilic substitution reactions, while the methoxymethyl side chain offers a stable, easily removable protecting group. This compound exhibits excellent bench stability and compatibility with standard coupling protocols, making it well-suited for modular synthesis of heterocyclic intermediates and API candidates.

Synthesis

  • Route1

    References

    • BRISTOL-MYERS SQUIBB COMPANY; COOK II, James H.; MCDONALD, Ivar, M.; KING, Dalton; OLSON, Richard, E.; WANG, Nenghui; IWUAGWU, Christiana, I.; ZUSI, Christopher, F.; MACOR, John, E. Patent: WO2011/53292 A1, 2011 ; Location in patent: Page/Page column 221 ; WO 2011/053292 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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   35.01
  • LogP   1.2764
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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