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Methyl 6-bromo-2-fluoronicotinate

  • CAS No. 1214385-82-6

  • Cat. No. CS-0527423
  • Purity≥98%
  • MDL No.None

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

Methyl 6-bromo-2-fluoronicotinate|CS-0527423

Structure of 1214385-82-6

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General Information

  • CAS No. 1214385-82-6
  • Cat. No. CS-0527423
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅BrFNO₂
  • Molecular Weight 234.02
  • Synonym(s) None
  • SMILES O=C(C1=CC=C(Br)N=C1F)OC

Description

Methyl 6-bromo-2-fluoronicotinate is a fluorinated heterocyclic ester featuring strategic halogen substitution at the 6-position (bromine) and 2-position (fluorine). This combination imparts enhanced electrophilicity and directional reactivity, enabling efficient coupling in cross-coupling transformations. The methyl ester group provides a stable, handleable platform for downstream functionalization in synthetic organic chemistry and medicinal chemistry applications.

Application

Methyl 6-bromo-2-fluoronicotinate serves as a versatile building block in medicinal chemistry and heterocyclic synthesis, enabling efficient late-stage functionalization via palladium-catalyzed cross-coupling reactions. The ortho-fluoro and bromo substituents offer complementary reactivity for sequential derivatization, while the methyl ester group supports straightforward manipulation. Bench-stable and readily purified by flash chromatography, it facilitates robust access to substituted nicotinates and complex scaffolds relevant to API development.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P405-P501

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Computational Chemistry Data

  • TPSA   39.19
  • LogP   1.7698
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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