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CS-W001157 4
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2-Methyl-2-phenylpropanoic acid

  • CAS No. 826-55-1

  • Cat. No. CS-W004146
  • Purity≥98%
  • MDL No.MFCD00014332

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

2-Methyl-2-phenylpropanoic acid|CS-W004146

Structure of 826-55-1

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General Information

  • CAS No. 826-55-1
  • Cat. No. CS-W004146
  • Purity ≥98%
  • MDL No. MFCD00014332
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂O₂
  • Molecular Weight 164.20
  • Synonym(s) α,α-Dimethylphenylacetic acid
  • SMILES OC(=O)C(c1ccccc1)(C)C

Description

2-Methyl-2-phenylpropanoic acid features a sterically hindered quaternary carbon center flanked by a phenyl group and methyl substituents, imparting enhanced stability and resistance to racemization. This structural rigidity enables reliable incorporation in asymmetric synthesis and peptide coupling applications where stereochemical integrity is critical.

Application

2-Methyl-2-phenylpropanoic acid serves as a robust chiral building block in medicinal chemistry, offering high bench stability and compatibility with standard coupling protocols. Its sterically hindered α-carbon facilitates selective functionalization and enables efficient incorporation into diverse heterocyclic scaffolds and API intermediates. The molecule’s enhanced resistance to racemization under mild conditions supports reliable use in stereoselective synthesis.

Synthesis

  • Route1

    References

    • Zalatan, David N.; Bois, J. Du Journal of the American Chemical Society, 2009 , vol. 131, p. 7558 - 7559
  • Route2
    • null|null
      201230-82-2
    • null|null
      98-83-9
    • ~%
    • In-stock
      2-Methyl-2-phenylpropanoic acid|CS-W004146
      826-55-1
    • In-stock
      3-Phenylbutyric acid|CS-W017905
      4593-90-2

    References

    • WO2011/30110 A2, ; Page/Page column 29-30 ;
  • Route3
    • null|null
      201230-82-2
    • null|null
      98-83-9
    • ~48%
    • In-stock
      2-Methyl-2-phenylpropanoic acid|CS-W004146
      826-55-1

    References

    • Seayad; Jayasree; Chaudhari Organic Letters, 1999 , vol. 1, # 3 p. 459 - 461

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   2.0488
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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