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CS-W001157 4
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Methyl 2-bromopropanoate

  • CAS No. 5445-17-0

  • Cat. No. CS-0154978
  • Molecule weight167.00
  • Purity≥98%
  • MDL No.MFCD00000143

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

Methyl 2-bromopropanoate|CS-0154978

Structure of 5445-17-0

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General Information

  • CAS No. 5445-17-0
  • Cat. No. CS-0154978
  • Purity ≥98%
  • MDL No. MFCD00000143
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₇BrO₂
  • Molecular Weight 167.00
  • Synonym(s) Methyl-2-bromopropionate
  • SMILES CC(C(=O)OC)Br

Description

Methyl 2-bromopropionate was used as initiator during the synthesis of polymer brushes with single-walled carbon nanotubes as backbones. It was used as starting reagent for the synthesis of 2-18F-fluoropropionic acid, positron emission tomography imaging agent for prostate cancer.

Application

Methyl 2-bromopropanoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to α-branched carboxylic acid derivatives. Its bromine substituent facilitates nucleophilic substitution and coupling reactions, particularly in transition-metal-catalyzed transformations. The ester functionality offers compatibility with standard deprotection and functionalization protocols, while the molecule exhibits good bench stability and ease of purification, making it well-suited for iterative synthesis workflows and the construction of complex molecular architectures.

Synthesis

  • Route1
    • null|null
      27871-49-4
    • ~76%
    • In-stock
      Methyl 2-bromopropanoate|CS-0154978
      5445-17-0

    References

    • Cahiez, Gerard; Gager, Olivier; Moyeux, Alban; Delacroix, Thomas Advanced Synthesis and Catalysis, 2012 , vol. 354, # 8 p. 1519 - 1528
  • Route2
    • null|null
      67-56-1
    • null|null
      598-72-1
    • ~%
    • In-stock
      Methyl 2-bromopropanoate|CS-0154978
      5445-17-0

    References

    • Bulletin de la Societe Chimique de France, , vol. <3> 11, p. 297 Bulletin de la Societe Chimique de France, , vol. <3> 11, p. 886
  • Route3
    • null|null
      67-56-1
    • null|null
      563-76-8
    • ~85%
    • In-stock
      Methyl 2-bromopropanoate|CS-0154978
      5445-17-0

    References

    • Quast, Helmut; Leybach, Holger Chemische Berichte, 1991 , vol. 124, # 4 p. 849 - 859

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS05,GHS07
Signal Word : Danger
UN#: 2920
Class : 8(3)
Packing Group : Ⅱ
Hazard Statements : H226-H314-H335
Precautionary Statements : P210-P233-P240-P241-P242-P243-P260-P264-P271-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P370+P378-P403+P233-P403+P235-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   0.9428
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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