5-Bromo-4-methylnicotinic acid

Name: 5-Bromo-4-methylnicotinic acid
Brand: ChemScene
Availability: InStock
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CAS No. 677702-58-8
Cat. No. CS-0046901
Purity≥95%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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5-Bromo-4-methylnicotinic acid|CS-0046901

Structure of 677702-58-8

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General Information

CAS No. 677702-58-8
Cat. No. CS-0046901
Purity ≥95%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₆BrNO₂
Molecular Weight 216.03
Synonym(s) 5-bromo-4-methylpyridine-3-carboxylic acid
SMILES O=C(C1=CN=CC(Br)=C1C)O

Description

5-Bromo-4-methylnicotinic acid features a bromine substituent at the 5-position and a methyl group at the 4-position on the nicotinic acid scaffold. This electron-deficient heterocycle integrates readily into cross-coupling reactions, serving as a key building block for bioactive molecules in medicinal chemistry and materials science.

Application

5-Bromo-4-methylnicotinic acid serves as a versatile building block for the synthesis of biologically active heterocycles and pharmaceutical intermediates. Its bromo group enables palladium-catalyzed cross-coupling reactions, while the carboxylic acid and methyl functionalities offer orthogonal handles for further functionalization. The compound exhibits good bench stability and facilitates efficient derivatization in standard synthetic workflows.

Synthesis

Route1
- 124-38-9
- ~%
- In-stock
  
  677702-58-8
References
- SANOFI-AVENTIS Patent: US2006/4000 A1, 2006 ; Location in patent: Page/Page column 20 ;

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 50.19
LogP 1.85072
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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5-Bromo-4-methylnicotinic acid

CAS No. 677702-58-8

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