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tert-Butyl 6-(hydroxymethyl)-2-azaspiro[3.3]heptane-2-carboxylate

  • CAS No. 1363381-93-4

  • Cat. No. CS-0048172
  • Purity≥98%
  • MDL No.MFCD22419350

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

tert-Butyl 6-(hydroxymethyl)-2-azaspiro[3.3]heptane-2-carboxylate|CS-0048172

Structure of 1363381-93-4

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General Information

  • CAS No. 1363381-93-4
  • Cat. No. CS-0048172
  • Purity ≥98%
  • MDL No. MFCD22419350
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₂₁NO₃
  • Molecular Weight 227.30
  • Synonym(s) None
  • SMILES O=C(OC(C)(C)C)N1CC2(C1)CC(CO)C2

Description

tert-Butyl 6-(hydroxymethyl)-2-azaspiro[3.3]heptane-2-carboxylate features a rigid spirocyclic core with a pendant hydroxymethyl group, enabling selective functionalization. The tertiary butyl ester ensures stability and ease of removal under standard conditions. This scaffold integrates seamlessly into complex molecular architectures requiring stereochemical control and metabolic resilience.

Application

tert-Butyl 6-(hydroxymethyl)-2-azaspiro[3.3]heptane-2-carboxylate serves as a versatile spirocyclic building block for medicinal chemistry and process development. The pendant hydroxymethyl group enables straightforward oxidation to carboxylic acid, reduction to primary alcohol, or incorporation into further functionalizations. The tert-butyl ester is bench-stable and compatible with standard synthetic manipulations, facilitating efficient access to complex nitrogen-containing scaffolds via orthogonal transformations.

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   49.77
  • LogP   1.6258
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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