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tert-Butyl 3-aminoazepane-1-carboxylate

  • CAS No. 609789-17-5

  • Cat. No. CS-B0645
  • Molecule weight214.30
  • Purity≥95%
  • MDL No.MFCD06738754

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

tert-Butyl 3-aminoazepane-1-carboxylate|CS-B0645

Structure of 609789-17-5

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General Information

  • CAS No. 609789-17-5
  • Cat. No. CS-B0645
  • Purity ≥95%
  • MDL No. MFCD06738754
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₂₂N₂O₂
  • Molecular Weight 214.30
  • Synonym(s) tert-Butyl-3-aminoazepan-1-carboxylat
  • SMILES O=C(OC(C)(C)C)N(CCCC1)CC1N

Description

tert-Butyl 3-aminoazepane-1-carboxylate features a saturated seven-membered ring with a primary amine at the 3-position and a bench-stable tert-butyl ester group. This protected amino-piperidine analog integrates readily into medicinal chemistry scaffolds, offering enhanced solubility and metabolic stability in complex synthesis workflows.

Application

tert-Butyl 3-aminoazepane-1-carboxylate serves as a versatile, bench-stable building block for the synthesis of nitrogen-containing heterocycles. Its tertiary amine functionality enables straightforward functionalization, while the Boc group provides orthogonal protection and ease of purification. It participates reliably in standard coupling reactions, reductive amination, and cyclization protocols, facilitating efficient access to azepane-based scaffolds relevant to medicinal chemistry and process-scale synthesis.

Synthesis

  • Route1
    • Tert-butyl 3-(benzyloxycarbonylamino)azepane-1-carboxylate|CS-0000088
      1044561-17-2
    • ~%
    • In-stock
      tert-Butyl 3-aminoazepane-1-carboxylate|CS-B0645
      609789-17-5

    References

    • EP2119702 A1, ; Page/Page column 114 ;
  • Route2

    References

    • Journal of Organic Chemistry, , vol. 72, # 6 p. 2030 - 2039
  • Route3

    References

    • Journal of Organic Chemistry, , vol. 72, # 6 p. 2030 - 2039

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 2735
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314-H318
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   55.56
  • LogP   1.7347
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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