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CS-W001157 4
Total: USD 88.00

2-Bromo-4-(methoxycarbonyl)benzoic acid

  • CAS No. 911799-84-3

  • Cat. No. CS-0163125
  • Purity≥97%
  • MDL No.None

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

2-Bromo-4-(methoxycarbonyl)benzoic acid|CS-0163125

Structure of 911799-84-3

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General Information

  • CAS No. 911799-84-3
  • Cat. No. CS-0163125
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇BrO₄
  • Molecular Weight 259.05
  • Synonym(s) tert-butyl 3-allyl-3-hydroxyazetidine-90-carboxylate
  • SMILES O=C(O)C1=CC=C(C(OC)=O)C=C1Br

Description

This brominated benzoic acid derivative features a methoxycarbonyl group at the para position relative to the carboxylic acid, enabling direct incorporation into coupling reactions. The ortho-bromo substituent provides a reactive handle for palladium-catalyzed transformations, facilitating access to complex aromatic architectures under standard conditions.

Application

2-Bromo-4-(methoxycarbonyl)benzoic acid serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted benzimidazoles, quinolines, and other heterocyclic scaffolds via palladium-catalyzed cross-coupling. The bromo group facilitates Suzuki, Stille, and Negishi reactions, while the methoxycarbonyl and carboxylic acid functionalities offer orthogonal handles for derivatization, purification, and further functionalization. Its bench-stable nature and compatibility with standard reaction conditions make it well-suited for iterative synthesis in medicinal chemistry and process development 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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   63.6
  • LogP   1.9339
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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