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CS-W001157 4
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Sodium 3-methyl-2-oxobutanoate

  • CAS No. 3715-29-5

  • Cat. No. CS-0128729
  • Purity≥95%
  • MDL No.MFCD00002581

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

Sodium 3-methyl-2-oxobutanoate|CS-0128729

Structure of 3715-29-5

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General Information

  • CAS No. 3715-29-5
  • Cat. No. CS-0128729
  • Purity ≥95%
  • MDL No. MFCD00002581
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₇NaO₃
  • Molecular Weight 138.10
  • Synonym(s) None
  • SMILES CC(C)C(C(O[Na])=O)=O

Description

Sodium 3-methyl-2-oxobutyrate (3-Methyl-2-oxobutanoic acid sodium salt) was used in the synthesis of (S)-2-hydroxy-3-methylbutanoic acid.

Synthesis

  • Route1

    References

    • MERCK and CO., INC. Patent: WO2005/118529 A2, 2005 ; Location in patent: Page/Page column 26 ;
  • Route2
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      1068-55-9
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      95-92-1
    • ~%
    • In-stock
      Sodium 3-methyl-2-oxobutanoate|CS-0128729
      3715-29-5

    References

    • Fizet Helvetica Chimica Acta, 1982 , vol. 65, # 7 p. 2024 - 2028

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

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   -0.1618
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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