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CS-W001157 4
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Methyl 5-bromo-6-methylnicotinate

  • CAS No. 1174028-22-8

  • Cat. No. CS-0061186
  • Purity≥98%
  • MDL No.None

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

Methyl 5-bromo-6-methylnicotinate|CS-0061186

Structure of 1174028-22-8

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General Information

  • CAS No. 1174028-22-8
  • Cat. No. CS-0061186
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈BrNO₂
  • Molecular Weight 230.06
  • Synonym(s) 5-Bromo-6-methyl-nicotinic acid methyl ester
  • SMILES CC1=C(C=C(C=N1)C(=O)OC)Br

Description

Methyl 5-bromo-6-methylnicotinate is a bench-stable, electron-deficient heterocyclic ester featuring a bromine atom at the 5-position and a methyl group at the 6-position. This structural motif enables direct functionalization in cross-coupling reactions, serving as a key building block for pharmaceutical intermediates and bioactive molecule synthesis.

Application

Methyl 5-bromo-6-methylnicotinate serves as a versatile building block in synthetic organic chemistry, enabling palladium-catalyzed cross-coupling reactions due to its well-defined bromo substituent. The methyl ester group supports facile derivatization, while the 6-methyl and pyridine ring framework provide structural rigidity and compatibility with standard heterocyclic synthesis protocols. Its bench-stable nature and predictable reactivity make it suitable for iterative functionalization in medicinal chemistry and process development 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
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   39.19
  • LogP   1.93912
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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