tert-Butyl 4-oxoimidazolidine-1-carboxylate

Name: tert-Butyl 4-oxoimidazolidine-1-carboxylate
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CAS No. 885954-76-7
Cat. No. CS-0541442
Purity≥95%
MDL No.None

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tert-Butyl 4-oxoimidazolidine-1-carboxylate|CS-0541442

Structure of 885954-76-7

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General Information

CAS No. 885954-76-7
Cat. No. CS-0541442
Purity ≥95%
MDL No. None
Storage -20°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₁₄N₂O₃
Molecular Weight 186.21
Synonym(s) 1-Imidazolidinecarboxylic acid, 4-oxo-, 1,1-dimethylethyl ester
SMILES O=C(N(CN1)CC1=O)OC(C)(C)C

Description

tert-Butyl 4-oxoimidazolidine-1-carboxylate is a bench-stable, moisture-tolerant building block featuring a cyclic imidazolidinone scaffold with a ketone at the C4 position. This electrophilic carbonyl group enables direct functionalization in reductive amination and heterocycle synthesis. The tert-butyl ester facilitates straightforward deprotection under mild acidic conditions, enabling rapid access to biologically relevant imidazolidinone derivatives.

Application

tert-Butyl 4-oxoimidazolidine-1-carboxylate serves as a versatile scaffold for constructing imidazolidinone-containing compounds, enabling efficient access to medicinally relevant heterocycles. Its ketone functionality supports selective reductions, nucleophilic additions, and condensation reactions, while the tert-butyl ester provides excellent bench stability and straightforward deprotection under mild acidic conditions. This reagent functions reliably in multistep syntheses, offering predictable reactivity and high compatibility with common functional groups.

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 58.64
LogP 0.3108
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Imidazolidin compounds

Key Words

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tert-Butyl 4-oxoimidazolidine-1-carboxylate

CAS No. 885954-76-7

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