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CS-W001157 4
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Methyl 4,6-dibromonicotinate

  • CAS No. 1364663-27-3

  • Cat. No. CS-W007188
  • Molecule weight294.93
  • Purity≥97%
  • MDL No.MFCD00234262

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

Methyl 4,6-dibromonicotinate|CS-W007188

Structure of 1364663-27-3

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General Information

  • CAS No. 1364663-27-3
  • Cat. No. CS-W007188
  • Purity ≥97%
  • MDL No. MFCD00234262
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅Br₂NO₂
  • Molecular Weight 294.93
  • Synonym(s) Methyl 4,?6-?Dibromonicotinate
  • SMILES O=C(OC)C1=CN=C(Br)C=C1Br

Description

Methyl 4,6-dibromonicotinate features two bromine substituents at the 4- and 6-positions of the nicotinate ring, enabling selective functionalization in heterocyclic synthesis. This electron-deficient scaffold integrates readily into cross-coupling reactions, offering high stability under standard conditions and facilitating access to substituted pyridine derivatives with controlled regiochemistry.

Application

Methyl 4,6-dibromonicotinate serves as a versatile building block for the synthesis of brominated heterocycles and functionalized pyridines. Its dual bromine substituents at the 4- and 6-positions enable sequential cross-coupling reactions, facilitating the construction of complex scaffolds in medicinal chemistry. The methyl ester group offers compatibility with standard transformations, while the compound exhibits good bench stability and ease of purification, making it suitable for iterative synthetic workflows.

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   39.19
  • LogP   2.3932
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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