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CS-W001157 4
Total: USD 88.00

Tert-butyl (S)-(3-oxo-1-phenylbutan-2-yl)carbamate

  • CAS No. 85613-64-5

  • Cat. No. CS-0368293
  • Purity≥97%
  • MDL No.None

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

Tert-butyl (S)-(3-oxo-1-phenylbutan-2-yl)carbamate|CS-0368293

Structure of 85613-64-5

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General Information

  • CAS No. 85613-64-5
  • Cat. No. CS-0368293
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₂₁NO₃
  • Molecular Weight 263.33
  • Synonym(s) Carbamic acid, N-[(1S)-2-oxo-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester
  • SMILES CC([C@@H](NC(OC(C)(C)C)=O)CC1=CC=CC=C1)=O

Synthesis

  • Route1
    • null|null
      914955-65-0
    • ~84%
    • Tert-butyl (S)-(3-oxo-1-phenylbutan-2-yl)carbamate|CS-0368293
      85613-64-5

    References

    • Xiao, Jingbo; Weisblum, Bernard; Wipf, Peter Organic Letters, 2006 , vol. 8, # 21 p. 4731 - 4734
  • Route2
    • BOC-L-Phenylalanine Bortezomib Impurity|CS-0169695
      13734-34-4
    • null|null
      917-54-4
    • ~76%
    • Tert-butyl (S)-(3-oxo-1-phenylbutan-2-yl)carbamate|CS-0368293
      85613-64-5

    References

    • Kawai, Megumi; Boparai, Amrit S.; Bernatowicz, Michael S.; Rich, Daniel H. Journal of Organic Chemistry, 1983 , vol. 48, # 11 p. 1876 - 1879
  • Route3
    • null|null
      75-16-1
    • null|null
      120125-44-2
    • ~89%
    • Tert-butyl (S)-(3-oxo-1-phenylbutan-2-yl)carbamate|CS-0368293
      85613-64-5

    References

    • Pradhan, Tarun K.; Krishnan, K. Syam; Vasse, Jean-Luc; Szymoniak, Jan Organic Letters, 2011 , vol. 13, # 7 p. 1793 - 1795

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-H320
Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P362

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Computational Chemistry Data

  • TPSA   55.4
  • LogP   2.7114
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   4

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