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CS-W001157 4
Total: USD 88.00

Br-C3-methyl ester

  • CAS No. 4897-84-1

  • Cat. No. CS-W004701
  • Purity≥98%
  • MDL No.MFCD00041482

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

Br-C3-methyl ester|CS-W004701

Structure of 4897-84-1

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General Information

  • CAS No. 4897-84-1
  • Cat. No. CS-W004701
  • Purity ≥98%
  • MDL No. MFCD00041482
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₉BrO₂
  • Molecular Weight 181.03
  • Synonym(s) None
  • SMILES COC(CCCBr)=O

Description

Br-C3-methyl ester features a brominated C3 backbone with a methyl ester terminus, enabling direct coupling in cross-coupling reactions. This moiety integrates readily into complex molecular architectures, offering a stable, bench-ready handle for synthetic workflows involving palladium-catalyzed transformations.

Application

Br-C3-methyl ester serves as a versatile building block in synthetic organic chemistry, enabling efficient late-stage functionalization via palladium-catalyzed cross-coupling reactions. Its brominated C3 position exhibits high reactivity with diverse nucleophiles, while the methyl ester group provides orthogonal handle for selective transformations. The compound demonstrates excellent bench stability and compatibility with common protecting groups, facilitating streamlined synthesis of complex heterocyclic scaffolds and pharmaceutical intermediates.

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   1.3345
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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