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Methyl 2-{3-azaspiro[5.5]undecan-9-yl}acetate hydrochloride

  • CAS No. 1017540-91-8

  • Cat. No. CS-0049181
  • Molecule weight261.79
  • Purity≥98%
  • MDL No.None

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

Methyl 2-{3-azaspiro[5.5]undecan-9-yl}acetate hydrochloride|CS-0049181

Structure of 1017540-91-8

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General Information

  • CAS No. 1017540-91-8
  • Cat. No. CS-0049181
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature, keep dry and cool
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₂₄ClNO₂
  • Molecular Weight 261.79
  • Synonym(s) None
  • SMILES Cl.COC(=O)CC1CCC2(CCNCC2)CC1

Description

Methyl 2-{3-azaspiro[5.5]undecan-9-yl}acetate hydrochloride features a rigid, polycyclic amine scaffold that enhances metabolic stability and bioavailability. The protonated nitrogen improves solubility in aqueous systems, while the ester functionality enables straightforward derivatization. This compound serves as a key intermediate in medicinal chemistry for accessing structurally complex alkaloid analogs and constrained peptide mimetics.

Application

Methyl 2-{3-azaspiro[5.5]undecan-9-yl}acetate hydrochloride serves as a versatile building block for spirocyclic alkaloid analogs and medicinal chemistry libraries. The tertiary amine functionality enables efficient salt formation, enhancing solubility and crystallinity for purification. Its ester group facilitates selective transformations, including reduction to the alcohol or hydrolysis to the carboxylic acid, while maintaining structural integrity under standard synthetic conditions. This compound functions as a key intermediate in the synthesis of complex nitrogen-containing scaffolds relevant to CNS-targeted drug discovery.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   38.33
  • LogP   2.5313
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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