1-tert-Butyl 2-methyl 3-oxopyrrolidine-1,2-dicarboxylate

Name: 1-tert-Butyl 2-methyl 3-oxopyrrolidine-1,2-dicarboxylate
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 194924-96-4
Cat. No. CS-0046983
Purity≥96%
MDL No.MFCD24369719

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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

Structure of 194924-96-4

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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.

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

Computational Chemistry Data

TPSA 72.91
LogP 0.7379
H_Acceptors 5
H_Donors 0
Rotatable_Bonds 1

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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1-tert-Butyl 2-methyl 3-oxopyrrolidine-1,2-dicarboxylate

CAS No. 194924-96-4

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