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Ethyl 2-(2-(methylthio)-6-oxo-1,6-dihydropyrimidin-5-yl)acetate

  • CAS No. 29571-44-6

  • Cat. No. CS-0140420
  • Molecule weight228.27
  • Purity≥95%
  • MDL No.MFCD12545977

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

Ethyl 2-(2-(methylthio)-6-oxo-1,6-dihydropyrimidin-5-yl)acetate|CS-0140420

Structure of 29571-44-6

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General Information

  • CAS No. 29571-44-6
  • Cat. No. CS-0140420
  • Purity ≥95%
  • MDL No. MFCD12545977
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₂N₂O₃S
  • Molecular Weight 228.27
  • Synonym(s) NSC 165311
  • SMILES O=C(OCC)CC1=CN=C(SC)NC1=O

Description

Ethyl 2-(2-(methylthio)-6-oxo-1,6-dihydropyrimidin-5-yl)acetate features a conjugated dihydropyrimidinone core with a pendant methylthio group and ester-functionalized side chain. This scaffold integrates readily into heterocyclic synthesis, offering high stability under standard conditions and enabling efficient access to bioactive pyrimidine derivatives via modular transformations.

Application

Ethyl 2-(2-(methylthio)-6-oxo-1,6-dihydropyrimidin-5-yl)acetate serves as a versatile building block for pyrimidine-based heterocycles, enabling efficient access to medicinally relevant scaffolds. Its enolizable β-ketoester functionality facilitates alkylation, condensation, and cyclization reactions under standard conditions. The methylthio group provides orthogonal reactivity for sulfur-directed transformations, while the ethyl ester supports further derivatization. Bench-stable and amenable to purification by column chromatography, it functions effectively in multistep syntheses of pharmaceutical intermediates and agrochemicals.

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
Precautionary Statements : P264-P270-P330-P501

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Computational Chemistry Data

  • TPSA   72.05
  • LogP   0.5974
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   4

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