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CS-W001157 4
Total: USD 88.00

5-(Chloromethyl)pyrimidine-2,4(1H,3H)-dione

  • CAS No. 3590-48-5

  • Cat. No. CS-0599327
  • Purity≥96%
  • MDL No.MFCD00218445

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

5-(Chloromethyl)pyrimidine-2,4(1H,3H)-dione|CS-0599327

Structure of 3590-48-5

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General Information

  • CAS No. 3590-48-5
  • Cat. No. CS-0599327
  • Purity ≥96%
  • MDL No. MFCD00218445
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₅ClN₂O₂
  • Molecular Weight 160.56
  • Synonym(s) None
  • SMILES C1=C(C(=O)NC(=O)N1)CCl

Description

5-(Chloromethyl)pyrimidine-2,4(1H,3H)-dione features a reactive chloromethyl group flanked by two carbonyl functionalities, enabling selective alkylation under mild conditions. This electrophilic handle integrates readily into nucleophilic substrates, serving as a key intermediate in the synthesis of functionalized pyrimidine derivatives for medicinal chemistry applications.

Application

5-(Chloromethyl)pyrimidine-2,4(1H,3H)-dione serves as a versatile building block for the synthesis of pyrimidine-based heterocycles, enabling efficient functionalization at the C5 position. The chloromethyl group facilitates nucleophilic substitution reactions, supporting the construction of diverse scaffolds with high regioselectivity. Its bench-stable nature and compatibility with common reaction conditions make it well-suited for medicinal chemistry campaigns and process-scale derivatization.

Safety Information

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GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅱ
Hazard Statements : H302-H314-H318
Precautionary Statements : P260-P264-P270-P280-P301+P330+P331-P304+P340-P330-P363-P405-P501

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Computational Chemistry Data

  • TPSA   65.72
  • LogP   -0.198
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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