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CS-W001157 4
Total: USD 88.00

2,3-Dimethylbutanoic acid

  • CAS No. 14287-61-7

  • Cat. No. CS-0138076
  • Purity≥98%
  • MDL No.MFCD00045888

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

2,3-Dimethylbutanoic acid|CS-0138076

Structure of 14287-61-7

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General Information

  • CAS No. 14287-61-7
  • Cat. No. CS-0138076
  • Purity ≥98%
  • MDL No. MFCD00045888
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₂O₂
  • Molecular Weight 116.16
  • Synonym(s) 2-METHYLISOVALERIC ACID
  • SMILES CC(C)C(C)C(O)=O

Description

2,3-Dimethylbutanoic acid features a branched alkyl chain with steric hindrance at the alpha and beta positions, enhancing its metabolic stability. This structural motif supports its use in synthesizing bioactive molecules and chiral building blocks under standard conditions.

Application

2,3-Dimethylbutanoic acid serves as a valuable chiral building block in synthetic organic chemistry, enabling the construction of substituted alkyl chains and heterocyclic scaffolds. Its branched structure provides enhanced metabolic stability and steric definition, making it useful in medicinal chemistry and natural product synthesis. The molecule exhibits good bench stability and facilitates straightforward derivatization via standard carboxylic acid transformations.

Synthesis

  • Route1
    • In-stock
      Isovaleric acid (mixture of isomers),98%(isomers mixture)|CS-0881782
      503-74-2
    • null|null
      74-88-4
    • ~95%
    • In-stock
      2,3-Dimethylbutanoic acid|CS-0138076
      14287-61-7

    References

    • Karpf, Martin; Huguet, Joan; Dreiding, Andre S. Helvetica Chimica Acta, 1982 , vol. 65, # 1 p. 13 - 25
  • Route2
    • Ethyl 2,3-Dimethylbutanoate|CS-0762919
      54004-42-1
    • ~94%
    • In-stock
      2,3-Dimethylbutanoic acid|CS-0138076
      14287-61-7

    References

    • Lion, Claude; Dubois, Jacques-Emile Journal of Chemical Research, Miniprint, 1980 , # 2 p. 565 - 576
  • Route3
    • null|null
      631-65-2
    • null|null
      124-38-9
    • ~%
    • In-stock
      2,3-Dimethylbutanoic acid|CS-0138076
      14287-61-7

    References

    • Journal of the American Chemical Society, , vol. 58, p. 757

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

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.3631
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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