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tert-Butyl N-[(1S)-1-[Methoxy(methyl)carbamoyl]-2-phenylethyl]carbamate

  • CAS No. 87694-53-9

  • Cat. No. CS-0122989
  • Molecule weight308.37
  • Purity≥98%
  • MDL No.MFCD00151891

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

tert-Butyl N-[(1S)-1-[Methoxy(methyl)carbamoyl]-2-phenylethyl]carbamate|CS-0122989

Structure of 87694-53-9

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General Information

  • CAS No. 87694-53-9
  • Cat. No. CS-0122989
  • Purity ≥98%
  • MDL No. MFCD00151891
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₂₄N₂O₄
  • Molecular Weight 308.37
  • Synonym(s) N-Boc-N-methoxy-N-methyl-L-phenylalaninamide
  • SMILES O=C(OC(C)(C)C)N[C@H](C(N(OC)C)=O)CC1=CC=CC=C1

Synthesis

  • Route1
    • BOC-L-Phenylalanine Bortezomib Impurity|CS-0169695
      13734-34-4
    • null|null
      1117-97-1
    • ~98%
    • tert-Butyl N-[(1S)-1-[Methoxy(methyl)carbamoyl]-2-phenylethyl]carbamate|CS-0122989
      87694-53-9

    References

    • Capela, Rita; Oliveira, Rudi; Goncalves, Lidia M.; Domingos, Ana; Gut, Jiri; Rosenthal, Philip J.; Lopes, Francisca; Moreira, Rui Bioorganic and Medicinal Chemistry Letters, 2009 , vol. 19, # 12 p. 3229 - 3232
  • Route2

    References

    • Ko, Eunhwa; Liu, Jing; Perez, Lisa M.; Lu, Genliang; Schaefer, Amber; Burgess, Kevin Journal of the American Chemical Society, 2011 , vol. 133, # 3 p. 462 - 477
  • Route3

    References

    • Sibi, Mukund P.; Hasegawa, Hikaru; Ghorpade, Sandeep R. Organic Letters, 2002 , vol. 4, # 20 p. 3343 - 3346

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   67.87
  • LogP   2.1422
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   5

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