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CS-W001157 4
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tert-Butyl 3-oxomorpholine-4-carboxylate

  • CAS No. 142929-48-4

  • Cat. No. CS-0039097
  • Purity≥95%
  • MDL No.MFCD09751120

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

tert-Butyl 3-oxomorpholine-4-carboxylate|CS-0039097

Structure of 142929-48-4

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General Information

  • CAS No. 142929-48-4
  • Cat. No. CS-0039097
  • Purity ≥95%
  • MDL No. MFCD09751120
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₅NO₄
  • Molecular Weight 201.22
  • Synonym(s) 4-MORPHOLINECARBOXYLIC ACID, 3-OXO-, 1,1-DIMETHYLETHYL ESTER
  • SMILES CC(C)(C)OC(=O)N1CCOCC1=O

Description

tert-Butyl 3-oxomorpholine-4-carboxylate features a rigid, electron-deficient morpholine core with a ketone at the C3 position, enabling direct functionalization in synthetic routes. The tert-butyl ester group provides enhanced stability and ease of handling under standard conditions. This compound serves as a key scaffold for constructing bioactive heterocycles and complex molecular architectures.

Application

tert-Butyl 3-oxomorpholine-4-carboxylate serves as a versatile synthon in heterocyclic synthesis, enabling efficient access to morpholine-based scaffolds. The ketone functionality at C3 facilitates nucleophilic addition and reductive amination, while the tert-butyl ester offers excellent bench stability and ease of removal under mild acidic conditions. Its compatibility with diverse functional groups supports straightforward incorporation into complex molecular architectures relevant to medicinal chemistry and API development.

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   55.84
  • LogP   0.7803
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   0

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