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CS-W001157 4
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(2S)-1-[(tert-Butoxy)carbonyl]azepane-2-carboxylic acid

  • CAS No. 155905-76-3

  • Cat. No. CS-0053453
  • Molecule weight243.30
  • Purity≥95%
  • MDL No.None

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

(2S)-1-[(tert-Butoxy)carbonyl]azepane-2-carboxylic acid|CS-0053453

Structure of 155905-76-3

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General Information

  • CAS No. 155905-76-3
  • Cat. No. CS-0053453
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₂₁NO₄
  • Molecular Weight 243.30
  • Synonym(s) (S)-1-Boc-azepane-2-carboxylic acid
  • SMILES CC(C)(C)OC(=O)N1CCCCC[C@H]1C(O)=O

Synthesis

  • Route1
    • In-stock
      Di-tert-butyl dicarbonate|CS-0017817
      24424-99-5
    • (S)-azepane-2-carboxylic acid|CS-0499424
      66865-37-0
    • ~61%
    • In-stock
      (2S)-1-[(tert-Butoxy)carbonyl]azepane-2-carboxylic acid|CS-0053453
      155905-76-3

    References

    • Dutton, Fred E.; Lee, Byung H.; Johnson, Sandra S.; Coscarelli, Eileen M.; Lee, Pil H. Journal of Medicinal Chemistry, 2003 , vol. 46, # 11 p. 2057 - 2073
  • Route2

    References

    • Dutton, Fred E.; Lee, Byung H.; Johnson, Sandra S.; Coscarelli, Eileen M.; Lee, Pil H. Journal of Medicinal Chemistry, 2003 , vol. 46, # 11 p. 2057 - 2073
  • Route3
    • null|null
      116611-45-1
    • ~%
    • In-stock
      (2S)-1-[(tert-Butoxy)carbonyl]azepane-2-carboxylic acid|CS-0053453
      155905-76-3

    References

    • Pauly, Regine; Sasaki, N. Andre; Potier, Pierre Tetrahedron Letters, 1994 , vol. 35, # 2 p. 237 - 240

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

Quality Control

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Computational Chemistry Data

  • TPSA   66.84
  • LogP   2.2507
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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