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Methyl 2-bromo-3-oxobutanoate

  • CAS No. 3600-18-8

  • Cat. No. CS-0199106
  • Purity≥95%
  • MDL No.None

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

Methyl 2-bromo-3-oxobutanoate|CS-0199106

Structure of 3600-18-8

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General Information

  • CAS No. 3600-18-8
  • Cat. No. CS-0199106
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₇BrO₃
  • Molecular Weight 195.01
  • Synonym(s) Butanoic acid, 2-broMo-3-oxo-, Methyl ester
  • SMILES CC(C(Br)C(OC)=O)=O

Synthesis

  • Route1

    References

    • Li, Ze; Khaliq, Mansoora; Zhou, Zhigang; Post, Carol Beth; Kuhn, Richard J.; Cushman, Mark Journal of Medicinal Chemistry, 2008 , vol. 51, # 15 p. 4660 - 4671
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    • Methyl 2-bromo-3-oxobutanoate|CS-0199106
      3600-18-8

    References

    • Journal of the American Chemical Society, , vol. 103, # 18 p. 5388 - 5392

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1760
Class : 8
Packing Group : Ⅲ
Hazard Statements : H227-H314
Precautionary Statements : P210-P260-P264-P280-P301+P330+P331-P304+P340-P363-P370+P378-P403-P405-P501

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   0.5119
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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