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CS-W001157 4
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Benzyl 3-bromopropanoate

  • CAS No. 90841-55-7

  • Cat. No. CS-0044117
  • Molecule weight243.10
  • Purity≥96%
  • MDL No.MFCD22495411

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

Benzyl 3-bromopropanoate|CS-0044117

Structure of 90841-55-7

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General Information

  • CAS No. 90841-55-7
  • Cat. No. CS-0044117
  • Purity ≥96%
  • MDL No. MFCD22495411
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁BrO₂
  • Molecular Weight 243.10
  • Synonym(s) QJKVDFRAKMVERC-UHFFFAOYSA-N
  • SMILES O=C(OCC1=CC=CC=C1)CCBr

Description

Benzyl 3-bromopropanoate features a bromine atom at the γ-position of a propanoate chain, enabling efficient functionalization in nucleophilic substitution reactions. The benzyl ester moiety provides enhanced stability and solubility in organic solvents, facilitating use in synthetic workflows requiring controlled reactivity.

Application

Benzyl 3-bromopropanoate serves as a versatile bifunctional building block, enabling efficient synthesis of γ-bromocarboxylic acid derivatives and heterocyclic scaffolds. Its stable benzyl ester facilitates straightforward purification and orthogonal reactivity, while the β-bromo functionality supports nucleophilic substitution, ring-closure reactions, and transition-metal-catalyzed coupling processes. Functions reliably in standard organic transformations, offering predictable handling and scalability for medicinal chemistry and process development workflows.

Synthesis

  • Route1
    • null|null
      590-92-1
    • In-stock
      Benzyl alcohol|CS-4355
      100-51-6
    • ~89%
    • In-stock
      Benzyl 3-bromopropanoate|CS-0044117
      90841-55-7

    References

    • Burchacka, Ewa; Skorenski, Marcin; Sienczyk, Marcin; Oleksyszyn, Jozef Bioorganic and Medicinal Chemistry Letters, 2013 , vol. 23, # 5 p. 1412 - 1415
  • Route2
    • null|null
      15486-96-1
    • In-stock
      Benzyl alcohol|CS-4355
      100-51-6
    • ~92%
    • In-stock
      Benzyl 3-bromopropanoate|CS-0044117
      90841-55-7

    References

    • Parker, James P.; Devocelle, Marc; Marmion, Celine J. Zeitschrift fur Anorganische und Allgemeine Chemie, 2013 , vol. 639, # 8-9 p. 1628 - 1635

Safety Information

Download SDS
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

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.5148
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   4

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