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CS-W001157 4
Total: USD 88.00

(S)-3-benzyl-4-methoxy-4-oxobutanoic acid

  • CAS No. 182247-45-6

  • Cat. No. CS-0448840
  • Purity≥98%
  • MDL No.None

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

(S)-3-benzyl-4-methoxy-4-oxobutanoic acid|CS-0448840

Structure of 182247-45-6

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General Information

  • CAS No. 182247-45-6
  • Cat. No. CS-0448840
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄O₄
  • Molecular Weight 222.24
  • Synonym(s) (S)-(-)-2-Benzylsuccinic Acid 1-Methyl Ester
  • SMILES COC(=O)[C@@H](CC1=CC=CC=C1)CC(=O)O

Synthesis

  • Route1
    • null|null
      186581-53-3
    • null|null
      35262-43-2
    • ~%
    • (S)-3-benzyl-4-methoxy-4-oxobutanoic acid|CS-0448840
      182247-45-6

    References

    • Tetrahedron Letters, , vol. 37, # 34 p. 6169 - 6172

Safety Information

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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   63.6
  • LogP   1.493
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   5

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