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CS-W001157 4
Total: USD 88.00

2-(p-Tolyl)propanoic acid Ibuprofen Impurity

  • CAS No. 938-94-3

  • Cat. No. CS-0228886
  • Purity≥98%
  • MDL No.MFCD01111378

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

2-(p-Tolyl)propanoic acid Ibuprofen Impurity|CS-0228886

Structure of 938-94-3

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General Information

  • CAS No. 938-94-3
  • Cat. No. CS-0228886
  • Purity ≥98%
  • MDL No. MFCD01111378
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂O₂
  • Molecular Weight 164.20
  • Synonym(s) IBUPROFEN IMPURITY D
  • SMILES O=C(O)C(C1=CC=C(C=C1)C)C

Synthesis

  • Route1
    • null|null
      622-97-9
    • null|null
      201230-82-2
    • ~87%
    • 2-(p-Tolyl)propanoic acid Ibuprofen Impurity|CS-0228886
      938-94-3

    References

    • Seayad; Jayasree; Chaudhari Organic Letters, 1999 , vol. 1, # 3 p. 459 - 461
  • Route2
    • Ethyl 2-(p-tolyl)propanoate|CS-0503941
      78926-01-9
    • ~%
    • 2-(p-Tolyl)propanoic acid Ibuprofen Impurity|CS-0228886
      938-94-3

    References

    • Synthesis, , # 6 p. 444 - 445
  • Route3
    • 2-Hydroxy-2-(p-tolyl)propanoic acid|CS-0161349
      70589-40-1
    • ~91%
    • 2-(p-Tolyl)propanoic acid Ibuprofen Impurity|CS-0228886
      938-94-3

    References

    • Aramini, Andrea; Sablone, Manolo R.; Bianchini, Gianluca; Amore, Alessia; Fani, Michela; Perrone, Plinio; Dolce, Alberto; Allegretti, Marcello Tetrahedron, 2009 , vol. 65, # 10 p. 2015 - 2021

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.18312
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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