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Methyl 2-(4-bromopyridin-2-yl)acetate

  • CAS No. 1354021-08-1

  • Cat. No. CS-0140617
  • Purity≥96%
  • MDL No.MFCD21025848

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

Methyl 2-(4-bromopyridin-2-yl)acetate|CS-0140617

Structure of 1354021-08-1

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General Information

  • CAS No. 1354021-08-1
  • Cat. No. CS-0140617
  • Purity ≥96%
  • MDL No. MFCD21025848
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈BrNO₂
  • Molecular Weight 230.06
  • Synonym(s) 2-Pyridineacetic acid, 4-bromo-, methyl ester
  • SMILES O=C(OC)CC1=NC=CC(Br)=C1

Description

Methyl 2-(4-bromopyridin-2-yl)acetate features a brominated pyridine ring linked to a methyl ester-functionalized acetic acid moiety. This structure enables direct incorporation into cross-coupling reactions and facilitates downstream derivatization in medicinal chemistry. The compound exhibits robust stability under standard conditions, supporting reliable use in synthetic workflows.

Application

Methyl 2-(4-bromopyridin-2-yl)acetate serves as a versatile building block for constructing pyridine-based scaffolds in medicinal chemistry and catalytic cross-coupling reactions. The bromopyridyl moiety enables reliable Pd-catalyzed coupling with arylborons, heteroaryl halides, and other nucleophiles, while the ester group offers compatibility with selective reductions, hydrolysis, and further functionalization. Bench-stable and readily purified by standard chromatography, it facilitates efficient synthesis of biologically active compounds and complex heterocycles.

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 : 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   39.19
  • LogP   1.5596
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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