tert-Butyl 3-methyl-4-oxopyrrolidine-1-carboxylate

Name: tert-Butyl 3-methyl-4-oxopyrrolidine-1-carboxylate
Brand: ChemScene
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CAS No. 885102-34-1
Cat. No. CS-0029929
Purity≥95%
MDL No.MFCD29918272

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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 3-methyl-4-oxopyrrolidine-1-carboxylate|CS-0029929

Structure of 885102-34-1

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General Information

CAS No. 885102-34-1
Cat. No. CS-0029929
Purity ≥95%
MDL No. MFCD29918272
Storage -20°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₇NO₃
Molecular Weight 199.25
Synonym(s) 3-methyl-4-oxopyrrolidine-1-carboxylic acid tert-butyl ester
SMILES O=C(N1CC(C)C(C1)=O)OC(C)(C)C

Description

tert-Butyl 3-methyl-4-oxopyrrolidine-1-carboxylate features a sterically hindered pyrrolidine core with a ketone at C4 and a methyl group at C3, enabling selective functionalization. The tert-butyl carbamate moiety offers stability and convenient deprotection under mild acidic conditions, making it valuable for peptide backbone modifications and heterocyclic synthesis.

Application

tert-Butyl 3-methyl-4-oxopyrrolidine-1-carboxylate serves as a stable, bench-ready building block for the synthesis of pyrrolidine-based scaffolds. Its 4-oxo functionality enables efficient enolization and nucleophilic addition, while the tert-butoxycarbonyl group provides orthogonal protection compatible with standard amine deprotection protocols. The methyl substitution enhances stereochemical control in subsequent transformations, facilitating access to diverse heterocyclic frameworks relevant to medicinal chemistry and process 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 : H315-H319-H335
Precautionary Statements : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 46.61
LogP 1.4423
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 3-methyl-4-oxopyrrolidine-1-carboxylate

CAS No. 885102-34-1

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