Ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate

Name: Ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate
Brand: ChemScene
Availability: InStock
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CAS No. 1027-35-6
Cat. No. CS-0112640
Molecule weight247.29
Purity≥95%
MDL No.MFCD09998956

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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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Ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate|CS-0112640

Structure of 1027-35-6

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General Information

CAS No. 1027-35-6
Cat. No. CS-0112640
Purity ≥95%
MDL No. MFCD09998956
Storage -20°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₄H₁₇NO₃
Molecular Weight 247.29
Synonym(s) ethyl 1-benzyl-4-oxo-pyrrolidine-3-carboxylate
SMILES O=C(C1CN(CC2=CC=CC=C2)CC1=O)OCC

Description

Ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate features a rigid pyrrolidine core with orthogonal functional handles: a benzyl group at nitrogen and a carbonyl at C4, enabling selective derivatization. The ester moiety offers synthetic versatility for late-stage modifications. This bench-stable scaffold integrates readily into complex molecular architectures under standard conditions.

Application

Ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate serves as a versatile building block in medicinal chemistry, enabling efficient access to pyrrolidine-based heterocyclic scaffolds. Its benzyl-protected amine and electrophilic carbonyl group facilitate selective functionalization, including reductive amination and nucleophilic addition reactions. The molecule exhibits excellent bench stability and compatibility with standard purification techniques, making it well-suited for multi-step synthesis and process-scale applications.

Synthesis

Route1
- 795-18-6
- ~76%
- In-stock
  
  1027-35-6
References
- EP1552842 A1, ; Page/Page column 302 ;

Safety Information

Download SDS

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

Quality Control

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Computational Chemistry Data

TPSA 46.61
LogP 1.2506
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 4

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aliphatic heterocycle compounds Pyrrolidine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate

CAS No. 1027-35-6

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