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CS-W001157 4
Total: USD 88.00

Ethyl (4-methylbenzoyl)glycinate

  • CAS No. 122081-29-2

  • Cat. No. CS-0457251
  • Purity≥98%
  • MDL No.None

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

Ethyl (4-methylbenzoyl)glycinate|CS-0457251

Structure of 122081-29-2

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General Information

  • CAS No. 122081-29-2
  • Cat. No. CS-0457251
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅NO₃
  • Molecular Weight 221.25
  • Synonym(s) Ethyl 2-[(4-methylbenzoyl)amino]acetate
  • SMILES O=C(OCC)CNC(C1=CC=C(C)C=C1)=O

Synthesis

  • Route1

    References

    • Yoo, Woo-Jin; Li, Chao-Jun Journal of the American Chemical Society, 2006 , vol. 128, # 40 p. 13064 - 13065
  • Route2

    References

    • Giguere-Bisson, Maxime; Yoo, Woo-Jin; Li, Chao-Jun Organic Syntheses, 2012 , vol. 88, p. 14 - 21
  • Route3
    • null|null
      122081-21-4
    • H-Gly-Oet|CS-0636597
      459-73-4
    • ~95%
    • Ethyl (4-methylbenzoyl)glycinate|CS-0457251
      122081-29-2
    • null|null
      122081-30-5

    References

    • Theocharis, A.B.; Maroulis, A.J.; Hadjiantoniou-Maroulis, C.P.; Alexandrou, N.E. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1989 , p. 619 - 621

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   55.4
  • LogP   1.28792
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   4

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