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CS-W001157 4
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Ethyl 1-bromo-2-naphthoate

  • CAS No. 773134-84-2

  • Cat. No. CS-0163044
  • Molecule weight279.13
  • Purity≥97%
  • MDL No.None

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

Ethyl 1-bromo-2-naphthoate|CS-0163044

Structure of 773134-84-2

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General Information

  • CAS No. 773134-84-2
  • Cat. No. CS-0163044
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₁BrO₂
  • Molecular Weight 279.13
  • Synonym(s) Naphthalenecarboxylic acid, 1-bromo-, ethyl ester
  • SMILES O=C(OCC)C1=CC=C2C=CC=CC2=C1Br

Description

Ethyl 1-bromo-2-naphthoate features a brominated naphthalene core paired with an ester handle, enabling direct functionalization in cross-coupling and nucleophilic substitution reactions. The electron-deficient aromatic ring enhances reactivity toward palladium-catalyzed transformations, while the ethyl ester group offers synthetic versatility for downstream derivatization. This bench-stable reagent integrates seamlessly into complex molecular architectures requiring halogen-directed assembly.

Application

Ethyl 1-bromo-2-naphthoate serves as a versatile building block in synthetic organic chemistry, enabling palladium-catalyzed cross-coupling reactions due to its well-established aryl bromide functionality. The ester group provides compatibility with standard functional group manipulations, while the naphthalene core offers rigidity and π-conjugation beneficial for advanced heterocycle synthesis. Its bench stability and ease of purification make it suitable for iterative coupling strategies and modular scaffold construction in medicinal chemistry and materials science applications.

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   3.779
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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