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CS-W001157 4
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1-tert-Butyl 2-methyl 3-oxopyrrolidine-1,2-dicarboxylate

  • CAS No. 194924-96-4

  • Cat. No. CS-0046983
  • Purity≥96%
  • MDL No.MFCD24369719

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

1-tert-Butyl 2-methyl 3-oxopyrrolidine-1,2-dicarboxylate|CS-0046983

Structure of 194924-96-4

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General Information

  • CAS No. 194924-96-4
  • Cat. No. CS-0046983
  • Purity ≥96%
  • MDL No. MFCD24369719
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₇NO₅
  • Molecular Weight 243.26
  • Synonym(s) O1-tert-Butyl O2-methyl 3-oxopyrrolidine-1,2-dicarboxylate
  • SMILES O=C(N(C1C(OC)=O)CCC1=O)OC(C)(C)C

Description

1-tert-Butyl 2-methyl 3-oxopyrrolidine-1,2-dicarboxylate features a sterically shielded tert-butyl group and a methyl-substituted pyrrolidine core, delivering enhanced stability and solubility in polar organic solvents. The ketone functionality at C3 enables direct functionalization in asymmetric synthesis. This scaffold integrates readily into complex heterocyclic architectures under mild conditions, offering a robust platform for medicinal chemistry campaigns.

Application

1-tert-Butyl 2-methyl 3-oxopyrrolidine-1,2-dicarboxylate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted pyrrolidines and related heterocyclic scaffolds. Its orthogonal functionality—combining a readily reducible ketone with two ester groups—facilitates selective transformations under mild conditions. The tert-butyl and methyl substituents enhance bench stability and simplify purification, making it well-suited for iterative synthesis workflows in medicinal chemistry and process development.

Safety Information

Download SDS
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   72.91
  • LogP   0.7379
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   1

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