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CS-W001157 4
Total: USD 88.00

Methyl 2-bromopyrimidine-4-carboxylate

  • CAS No. 1209459-78-8

  • Cat. No. CS-0039014
  • Purity≥97%
  • MDL No.MFCD14702814

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

Methyl 2-bromopyrimidine-4-carboxylate|CS-0039014

Structure of 1209459-78-8

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General Information

  • CAS No. 1209459-78-8
  • Cat. No. CS-0039014
  • Purity ≥97%
  • MDL No. MFCD14702814
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅BrN₂O₂
  • Molecular Weight 217.02
  • Synonym(s) None
  • SMILES COC(=O)C1=NC(=NC=C1)Br

Description

Methyl 2-bromopyrimidine-4-carboxylate features a bromine atom at the 2-position and a methyl ester group at the 4-position of the pyrimidine ring, enabling direct functionalization in cross-coupling reactions. This electron-deficient heterocycle integrates readily into medicinal chemistry scaffolds and serves as a key intermediate for nitrogen-containing bioactive compounds under standard conditions.

Application

Methyl 2-bromopyrimidine-4-carboxylate serves as a versatile building block for the synthesis of pyrimidine-based pharmaceutical intermediates and agrochemicals. Its bromine at the 2-position enables facile palladium-catalyzed cross-coupling reactions, while the ester group offers compatibility with nucleophilic substitution and reduction protocols. The molecule exhibits good bench stability and facilitates efficient functionalization in standard synthetic workflows.

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   1.0257
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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