tert-Butyl 3-acetylpyrrolidine-1-carboxylate

Name: tert-Butyl 3-acetylpyrrolidine-1-carboxylate
Brand: ChemScene
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CAS No. 858643-95-5
Cat. No. CS-0038016
Purity≥97%
MDL No.MFCD11865235

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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+
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tert-Butyl 3-acetylpyrrolidine-1-carboxylate|CS-0038016

Structure of 858643-95-5

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Description

tert-Butyl 3-acetylpyrrolidine-1-carboxylate features a pyrrolidine core with a strategically positioned acetyl group and a bench-stable tert-butyl carbamate protecting group. This combination enables direct incorporation into complex molecular architectures, particularly in the synthesis of nitrogen-containing heterocycles and bioactive compounds where controlled reactivity and ease of deprotection are essential.

Application

tert-Butyl 3-acetylpyrrolidine-1-carboxylate serves as a versatile pyrrolidine scaffold for medicinal chemistry and process development. The acetyl group enables direct functionalization via enolate chemistry, while the Boc protecting group offers stability and facile removal under mild acidic conditions. It functions as a key building block in the synthesis of nitrogen-containing heterocycles and supports diverse transformations including alkylation, condensation, and reductive amination, making it valuable for constructing complex molecular architectures with high practical utility in bench-scale synthesis.

General Information

CAS No. 858643-95-5
Cat. No. CS-0038016
Purity ≥97%
MDL No. MFCD11865235
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₉NO₃
Molecular Weight None
Synonym(s) Tert-butyl3-acetylpyrrolidine-1-carboxylate
SMILES CC(=O)C1CCN(C1)C(=O)OC(C)(C)C

Computational Chemistry Data

TPSA 46.61
LogP 1.8324
H_Acceptors 3
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 : H227-H315-H319-H335
Precautionary Statements : P210-P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P370+P378-P403+P233-P403+P235-P405-P501

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Other Classifications

Building Blocks Functional Group Ketone

Building Blocks Skeleton Aliphatic heterocycle compounds Pyrrolidine compounds

Key Words

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tert-Butyl 3-acetylpyrrolidine-1-carboxylate

CAS No. 858643-95-5

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