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CS-W001157 4
Total: USD 88.00

Ethyl 2-chloropyrimidine-5-carboxylate

  • CAS No. 89793-12-4

  • Cat. No. CS-W003995
  • Molecule weight186.60
  • Purity≥97%
  • MDL No.MFCD09863164

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

Ethyl 2-chloropyrimidine-5-carboxylate|CS-W003995

Structure of 89793-12-4

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General Information

  • CAS No. 89793-12-4
  • Cat. No. CS-W003995
  • Purity ≥97%
  • MDL No. MFCD09863164
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇ClN₂O₂
  • Molecular Weight 186.60
  • Synonym(s) None
  • SMILES CCOC(=O)c1cnc(nc1)Cl

Description

Ethyl 2-chloropyrimidine-5-carboxylate serves as a pivotal building block in medicinal chemistry, featuring a chlorinated pyrimidine core paired with an ester-functionalized C5 position. This configuration enables direct coupling in cross-coupling reactions and facilitates downstream derivatization under mild conditions. The molecule exhibits excellent stability and compatibility with diverse reaction environments.

Application

Ethyl 2-chloropyrimidine-5-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling nucleophilic substitution at the C2 position to install diverse functional groups. Its stability under standard reaction conditions and compatibility with common coupling partners facilitate efficient access to substituted pyrimidines. The ester functionality supports further transformations, including hydrolysis and derivatization, making it valuable for medicinal chemistry and process development workflows.

Synthesis

  • Route1

    References

    • CURIS, INC. Patent: WO2009/36016 A1, 2009 ; Location in patent: Page/Page column 69 ;
  • Route2

    References

    • Chemical and Pharmaceutical Bulletin, , vol. 48, # 10 p. 1504 - 1513
  • Route3

    References

    • Chemical and Pharmaceutical Bulletin, , vol. 48, # 10 p. 1504 - 1513

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

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Computational Chemistry Data

  • TPSA   52.08
  • LogP   1.3067
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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