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CS-W001157 4
Total: USD 88.00

Methyl 6-bromopyrimidine-4-carboxylate

  • CAS No. 1209459-80-2

  • Cat. No. CS-W007184
  • Purity≥97%
  • MDL No.MFCD14702823

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

Methyl 6-bromopyrimidine-4-carboxylate|CS-W007184

Structure of 1209459-80-2

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General Information

  • CAS No. 1209459-80-2
  • Cat. No. CS-W007184
  • Purity ≥97%
  • MDL No. MFCD14702823
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅BrN₂O₂
  • Molecular Weight 217.02
  • Synonym(s) 6-BroMopyriMidine-4-carboxylic acid Methylester
  • SMILES O=C(C1=NC=NC(Br)=C1)OC

Description

Methyl 6-bromopyrimidine-4-carboxylate features a bromine substituent at the 6-position and a methyl ester at the 4-position of the pyrimidine core. This electron-deficient heterocycle serves as a key building block in medicinal chemistry, enabling direct functionalization via cross-coupling reactions. The molecule exhibits excellent stability under standard conditions and facilitates efficient derivatization for targeted compound synthesis.

Application

Methyl 6-bromopyrimidine-4-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling palladium-catalyzed cross-coupling reactions at the C6 bromide site. The pyrimidine core supports further functionalization via nucleophilic substitution or metal-mediated transformations, while the ester group offers compatibility with reduction and amidation protocols. Bench-stable and readily purified by column chromatography, it facilitates efficient access to substituted pyrimidines relevant in medicinal chemistry and agrochemical development.

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-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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