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tert-Butyl (6-oxospiro[3.3]heptan-2-yl)carbamate

  • CAS No. 1118786-86-9

  • Cat. No. CS-0047894
  • Purity≥97%
  • MDL No.MFCD11858160

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

tert-Butyl (6-oxospiro[3.3]heptan-2-yl)carbamate|CS-0047894

Structure of 1118786-86-9

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General Information

  • CAS No. 1118786-86-9
  • Cat. No. CS-0047894
  • Purity ≥97%
  • MDL No. MFCD11858160
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₉NO₃
  • Molecular Weight 225.29
  • Synonym(s) None
  • SMILES O=C(OC(C)(C)C)NC1CC2(CC(=O)C2)C1

Description

tert-Butyl (6-oxospiro[3.3]heptan-2-yl)carbamate features a rigid spirocyclic core with a ketone at the 6-position and a carbamate-protected amine at the 2-position, enabling selective functionalization in complex molecule synthesis. This bench-stable scaffold integrates seamlessly into polycyclic frameworks, offering controlled reactivity for medicinal chemistry applications.

Application

tert-Butyl (6-oxospiro[3.3]heptan-2-yl)carbamate serves as a versatile building block in synthetic organic chemistry, enabling access to spirocyclic scaffolds prevalent in bioactive molecules. The carbamate group provides stability and facilitates selective deprotection under mild acidic conditions. The 6-oxospiro[3.3]heptane core offers a rigid, three-dimensional framework with defined stereochemistry, supporting efficient functionalization at the C2 position and compatibility with standard coupling and reduction protocols.

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   55.4
  • LogP   2.0228
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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