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CS-W001157 4
Total: USD 88.00

5-Bromo-2-methoxynicotinic acid

  • CAS No. 54916-66-4

  • Cat. No. CS-D1068
  • Purity≥97%
  • MDL No.MFCD06656771

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

5-Bromo-2-methoxynicotinic acid|CS-D1068

Structure of 54916-66-4

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General Information

  • CAS No. 54916-66-4
  • Cat. No. CS-D1068
  • Purity ≥97%
  • MDL No. MFCD06656771
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆BrNO₃
  • Molecular Weight 232.03
  • Synonym(s) 5-Bromo-2-methoxy-3-pyridinecarboxylic acid; 5-bromo-2-methoxypyridine-3-carboxylic acid
  • SMILES O=C(C1=CC(Br)=CN=C1OC)O

Description

It is used in most dairy flavors to add greater depth. This ketone will add lingering rich after-notes, to many processed dairy products such as custard, melted butter, creams and cheeses (Brie, Gorgonzola and blue cheeses). Also beneficial in fatty nut applications (brazil and pine nuts, cashews). It is also used to produce Heptan-2-one.

Application

5-Bromo-2-methoxynicotinic acid serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its bromo substituent. The methoxy group provides orthogonal reactivity and enhances solubility, while the carboxylic acid facilitates direct amidation or esterification. Its bench-stable crystalline form simplifies handling and purification, making it well-suited for modular synthesis of heterocyclic scaffolds and bioactive molecules.

Synthesis

  • Route1

    References

    • MERCK SHARP and DOHME CORP.; MCCOMAS, Casey Cameron; LIVERTON, Nigel J.; HABERMANN, Joerg; KOCH, Uwe; NARJES, Frank; LI, Peng; PENG, Xuanjia; SOLL, Richard; WU, Hao; PALANI, Anandan; HE, Shuwen; DAI, Xing; LIU, Hong; LAI, Zhong; LONDON, Clare; XIAO, Dong; ZORN, Nicolas; NARGUND, Ravi Patent: WO2013/33971 A1, 2013 ; Location in patent: Page/Page column 144 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   59.42
  • LogP   1.5509
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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