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CS-W001157 4
Total: USD 88.00

2-(Methylthio)-4-pyrimidinecarboxaldehyde

  • CAS No. 1074-68-6

  • Cat. No. CS-W019765
  • Purity≥95%
  • MDL No.MFCD02683211

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

2-(Methylthio)-4-pyrimidinecarboxaldehyde|CS-W019765

Structure of 1074-68-6

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General Information

  • CAS No. 1074-68-6
  • Cat. No. CS-W019765
  • Purity ≥95%
  • MDL No. MFCD02683211
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₆N₂OS
  • Molecular Weight None
  • Synonym(s) 2-Methylsulfanylpyrimidine-4-carboxaldehyde; 2-Methylthiopyrimidine-4-carboxaldehyde; 4-Formyl-2-methylthiopyrimidine; 2-Methylsulfanylpyrimidine-4-carbaldehyde
  • SMILES O=CC1=NC(SC)=NC=C1

Description

2-(Methylthio)-4-pyrimidinecarboxaldehyde features a pyrimidine core functionalized with a methylthio group and an aldehyde moiety, enabling direct conjugation in synthetic transformations. This electron-deficient scaffold integrates readily into heterocyclic frameworks under mild conditions, offering high stability and compatibility with diverse reaction systems.

Application

2-(Methylthio)-4-pyrimidinecarboxaldehyde serves as a versatile building block in medicinal chemistry, enabling efficient access to pyrimidine-based scaffolds through standard aldehyde functionalization. Its methylthio group offers orthogonal reactivity for selective transformations, while the carboxaldehyde moiety facilitates condensation, coupling, and heterocyclization reactions. The compound exhibits good bench stability and compatibility with common protecting group strategies, making it well-suited for iterative synthesis workflows in API development.

Synthesis

  • Route1
    • 4-(Dimethoxymethyl)-2-(methylthio)pyrimidine|CS-0042843
      180869-36-7
    • ~34%
    • In-stock
      2-(Methylthio)-4-pyrimidinecarboxaldehyde|CS-W019765
      1074-68-6

    References

    • Jasco Pharmaceuticals, LLC Patent: US2012/270892 A1, 2012 ; Location in patent: Page/Page column 57 ; US 20120270892 A1
  • Route2
    • In-stock
      Sodium carbonate anhydrous, 99.999% trace metals basis|CS-0644469
      497-19-8
    • 4-(Dimethoxymethyl)-2-(methylthio)pyrimidine|CS-0042843
      180869-36-7
    • ~98%
    • In-stock
      2-(Methylthio)-4-pyrimidinecarboxaldehyde|CS-W019765
      1074-68-6

    References

    • SmithKline Beecham Corporation Patent: US5756499 A1, 1998 ;
  • Route3
    • In-stock
      1,1-Dimethoxyacetone|CS-0015843
      6342-56-9
    • 4-(Dimethoxymethyl)-2-(methylthio)pyrimidine|CS-0042843
      180869-36-7
    • null|null
      74-88-4
    • ~%
    • In-stock
      2-(Methylthio)-4-pyrimidinecarboxaldehyde|CS-W019765
      1074-68-6

    References

    • US2004/38971 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 : H315-H319
Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364

Quality Control

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Computational Chemistry Data

  • TPSA   42.85
  • LogP   1.011
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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