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tert-Butyl 9-amino-3-azaspiro[5.5]undecane-3-carboxylate

  • CAS No. 1272758-41-4

  • Cat. No. CS-0048123
  • Molecule weight268.40
  • Purity≥95%
  • MDL No.MFCD18711593

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

tert-Butyl 9-amino-3-azaspiro[5.5]undecane-3-carboxylate|CS-0048123

Structure of 1272758-41-4

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General Information

  • CAS No. 1272758-41-4
  • Cat. No. CS-0048123
  • Purity ≥95%
  • MDL No. MFCD18711593
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₂₈N₂O₂
  • Molecular Weight 268.40
  • Synonym(s) None
  • SMILES O=C(OC(C)(C)C)N1CCC2(CC1)CCC(N)CC2

Description

tert-Butyl 9-amino-3-azaspiro[5.5]undecane-3-carboxylate features a rigid spirocyclic scaffold with a primary amine at the 9-position and a bench-stable tert-butyl ester group, enabling straightforward derivatization. This configuration supports modular synthesis of complex nitrogen-containing heterocycles in medicinal chemistry applications.

Application

tert-Butyl 9-amino-3-azaspiro[5.5]undecane-3-carboxylate serves as a versatile spirocyclic scaffold for medicinal chemistry, enabling the construction of complex nitrogen-containing heterocycles. The pendant primary amine facilitates conjugation and derivatization, while the tert-butyl ester allows for selective deprotection under mild acidic conditions. Its rigid spiro architecture provides defined stereochemistry and conformational restraint, enhancing target selectivity in biological screening campaigns.

Safety Information

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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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   55.56
  • LogP   2.905
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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