tert-Butyl 2-methyl-3-oxopyrrolidine-1-carboxylate

Name: tert-Butyl 2-methyl-3-oxopyrrolidine-1-carboxylate
Brand: ChemScene
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CAS No. 1539946-20-7
Cat. No. CS-0152702
Purity≥97%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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tert-Butyl 2-methyl-3-oxopyrrolidine-1-carboxylate|CS-0152702

Structure of 1539946-20-7

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General Information

CAS No. 1539946-20-7
Cat. No. CS-0152702
Purity ≥97%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₇NO₃
Molecular Weight 199.25
Synonym(s) 1-Pyrrolidinecarboxylic acid, 2-methyl-3-oxo-, 1,1-dimethylethyl ester
SMILES CC1C(=O)CCN1C(=O)OC(C)(C)C

Description

tert-Butyl 2-methyl-3-oxopyrrolidine-1-carboxylate features a sterically hindered pyrrolidinone core with a bench-stable tert-butyl ester, enabling direct incorporation into complex molecular architectures. The carbonyl group at C3 enhances electrophilicity for nucleophilic addition, while the methyl substituent provides controlled steric profile. This building block streamlines access to chiral amine scaffolds in medicinal chemistry and peptide conjugation workflows.

Application

tert-Butyl 2-methyl-3-oxopyrrolidine-1-carboxylate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to pyrrolidine-containing scaffolds. The ketone functionality at C3 facilitates nucleophilic addition and reductive amination reactions, while the tert-butoxycarbonyl (Boc) group provides stable protection for nitrogen. Its bench-stable nature and compatibility with a broad range of reaction conditions make it ideal for iterative synthesis and fragment assembly in medicinal chemistry workflows.

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 46.61
LogP 1.5848
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Pyrrolidine compounds

Key Words

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tert-Butyl 2-methyl-3-oxopyrrolidine-1-carboxylate

CAS No. 1539946-20-7

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