(S)-1-(2-Aminoacetyl)-4,4-difluoropyrrolidine-2-carbonitrile hydrochloride

Name: (S)-1-(2-Aminoacetyl)-4,4-difluoropyrrolidine-2-carbonitrile hydrochloride
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CAS No. 1448440-51-4
Cat. No. CS-0435121
Purity≥98%
MDL No.None

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(S)-1-(2-Aminoacetyl)-4,4-difluoropyrrolidine-2-carbonitrile hydrochloride|CS-0435121

Structure of 1448440-51-4

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General Information

CAS No. 1448440-51-4
Cat. No. CS-0435121
Purity ≥98%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₁₀ClF₂N₃O
Molecular Weight 225.62
Synonym(s) (S)-1-(2-aminoacetyl)-4,4-difluoropyrrolidine-2-carbonitrilehydrochloride
SMILES NCC(N1[C@@H](CC(F)(C1)F)C#N)=O.Cl

Description

This chiral pyrrolidine derivative features a bench-stable, moisture-tolerant structure with a strategically positioned nitrile group and difluorinated ring system. It integrates seamlessly into peptide-based inhibitor scaffolds and enables direct access to constrained bioactive motifs in medicinal chemistry campaigns.

Application

(S)-1-(2-Aminoacetyl)-4,4-difluoropyrrolidine-2-carbonitrile hydrochloride serves as a versatile chiral building block for medicinal chemistry, enabling access to fluorinated pyrrolidine scaffolds prevalent in bioactive molecules. The difluoro substitution enhances metabolic stability and modulates electronic properties, while the aminoacetyl and carbonitrile groups offer orthogonal handles for further functionalization. Bench-stable and readily purified, it facilitates efficient synthesis of peptidomimetics and kinase inhibitor candidates through standard coupling and cyclization protocols.

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362

Quality Control

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Computational Chemistry Data

TPSA 70.12
LogP 0.12668
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Building Blocks Skeleton Aliphatic heterocycle compounds Pyrrolidine compounds

Key Words

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(S)-1-(2-Aminoacetyl)-4,4-difluoropyrrolidine-2-carbonitrile hydrochloride

CAS No. 1448440-51-4

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