1-(tert-Butyl) 3-methyl 4-oxopyrrolidine-1,3-dicarboxylate

Name: 1-(tert-Butyl) 3-methyl 4-oxopyrrolidine-1,3-dicarboxylate
Brand: ChemScene
Availability: InStock
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CAS No. 194924-95-3
Cat. No. CS-0099103
Molecule weight243.26
Purity≥95%
MDL No.MFCD11052377

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1-(tert-Butyl) 3-methyl 4-oxopyrrolidine-1,3-dicarboxylate|CS-0099103

Structure of 194924-95-3

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General Information

CAS No. 194924-95-3
Cat. No. CS-0099103
Purity ≥95%
MDL No. MFCD11052377
Storage -20°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₇NO₅
Molecular Weight 243.26
Synonym(s) 1-tert-Butyl 3-methyl 4-oxopyrrolidine-1,3-dicarboxylate
SMILES O=C(N1CC(C(OC)=O)C(C1)=O)OC(C)(C)C

Description

1-(tert-Butyl) 3-methyl 4-oxopyrrolidine-1,3-dicarboxylate features a sterically hindered tert-butyl group and a methyl-substituted pyrrolidinone core, delivering enhanced stability and controlled reactivity. This bench-stable scaffold integrates readily into synthetic sequences requiring precise functional group positioning.

Application

1-(tert-Butyl) 3-methyl 4-oxopyrrolidine-1,3-dicarboxylate serves as a versatile pyrrolidine-based building block for the synthesis of nitrogen-containing heterocycles and bioactive molecules. Its bench-stable nature, combined with orthogonal functional groups, enables selective transformations in medicinal chemistry and natural product synthesis. The tert-butyl ester facilitates easy deprotection, while the 4-oxo and methyl substituents support diverse reductive amination, cycloaddition, and coupling reactions.

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-H317
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P501

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Computational Chemistry Data

TPSA 72.91
LogP 0.5954
H_Acceptors 5
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aliphatic heterocycle compounds Pyrrolidine compounds

Key Words

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1-(tert-Butyl) 3-methyl 4-oxopyrrolidine-1,3-dicarboxylate

CAS No. 194924-95-3

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