Cas no 1092294-32-0 (1-benzyl-N-(propan-2-yl)pyrrolidin-3-amine)

1-Benzyl-N-(propan-2-yl)pyrrolidin-3-amine is a chiral amine derivative featuring a pyrrolidine core substituted with a benzyl group at the 1-position and an isopropylamino moiety at the 3-position. This compound is of interest in medicinal chemistry and pharmaceutical research due to its structural versatility as a building block for bioactive molecules. The presence of both aromatic and aliphatic substituents enhances its potential for interactions with biological targets, while the stereocenter at the 3-position allows for enantioselective applications. Its well-defined synthetic route and stability under standard conditions make it a reliable intermediate for further functionalization or as a ligand in asymmetric synthesis.
1-benzyl-N-(propan-2-yl)pyrrolidin-3-amine structure
1092294-32-0 structure
Product Name:1-benzyl-N-(propan-2-yl)pyrrolidin-3-amine
CAS No:1092294-32-0
MF:C14H22N2
MW:218.337883472443
MDL:MFCD10692135
CID:2154974
PubChem ID:20823116
Update Time:2025-05-20

1-benzyl-N-(propan-2-yl)pyrrolidin-3-amine Chemical and Physical Properties

Names and Identifiers

    • (1-Benzyl-pyrrolidin-3-yl)-isopropyl-amine
    • 1-Benzyl-N-isopropylpyrrolidin-3-amine
    • (R)-1-Benzyl-N-isopropylpyrrolidin-3-amine
    • (S)-1-Benzyl-N-isopropylpyrrolidin-3-amine
    • AM90599
    • (1-benzylpyrrolidin-3-yl)isopropylamine
    • 1-benzyl-N-(propan-2-yl)pyrrolidin-3-amine
    • MDL: MFCD10692135
    • Inchi: 1S/C14H22N2/c1-12(2)15-14-8-9-16(11-14)10-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3
    • InChI Key: ZELZJSMTYJIMIM-UHFFFAOYSA-N
    • SMILES: N1(CC2C=CC=CC=2)CCC(C1)NC(C)C

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 197
  • Topological Polar Surface Area: 15.3

Experimental Properties

  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 302.1±35.0 °C at 760 mmHg
  • Flash Point: 107.0±16.9 °C
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

1-benzyl-N-(propan-2-yl)pyrrolidin-3-amine Security Information

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Additional information on 1-benzyl-N-(propan-2-yl)pyrrolidin-3-amine

Exploring the Potential of 1-Benzyl-N-(Propan-2-yl)pyrrolidin-3-Amine: A Comprehensive Overview

1-Benzyl-N-(Propan-2-yl)pyrrolidin-3-Amine, identified by the CAS number 1092294-32-0, is a compound of significant interest in the fields of organic chemistry and pharmacology. This compound, with its unique structure, has garnered attention due to its potential applications in drug discovery and development. The molecule consists of a pyrrolidine ring substituted with a benzyl group at position 1 and an isopropylamine group at position 3, making it a versatile scaffold for various chemical modifications.

Recent studies have highlighted the importance of pyrrolidine derivatives in medicinal chemistry, particularly as they serve as building blocks for bioactive compounds. The substitution pattern of 1-Benzyl-N-(Propan-2-yl)pyrrolidin-3-Amine allows for extensive functionalization, enabling researchers to explore its potential as a precursor for novel therapeutic agents. For instance, modifications to the benzyl or isopropyl groups can lead to compounds with enhanced bioavailability or improved pharmacokinetic profiles.

The synthesis of this compound involves a multi-step process that typically begins with the preparation of pyrrolidine intermediates. Researchers have employed various strategies, including nucleophilic substitution and reductive amination, to construct the desired molecule. These methods not only ensure high yields but also provide opportunities for stereochemical control, which is crucial for achieving specific biological activities.

In terms of applications, 1-Benzyl-N-(Propan-2-yl)pyrrolidin-3-Amine has shown promise in several areas. For example, it has been investigated as a potential lead compound in the development of anti-inflammatory agents. Studies conducted in vitro have demonstrated its ability to inhibit key enzymes involved in inflammatory pathways, suggesting its potential as a therapeutic candidate for conditions such as arthritis or neurodegenerative diseases.

Beyond its direct pharmacological applications, this compound has also been utilized as a chiral auxiliary in asymmetric synthesis. The presence of chiral centers in its structure makes it an ideal candidate for enantioselective reactions, which are critical in the production of optically active pharmaceuticals. Recent advancements in catalytic asymmetric synthesis have further enhanced the utility of this compound in constructing complex molecular architectures.

The structural versatility of 1-Benzyl-N-(Propan-2-yl)pyrrolidin-3-Amine has also led to its exploration in peptide chemistry. By incorporating this moiety into peptide backbones, researchers have developed novel bioactive peptides with improved stability and potency. These findings underscore its role as a valuable tool in peptide-based drug design.

In conclusion, 1-Benzyl-N-(Propan-2-yl)pyrrolidin-3-Amine, with its unique structure and diverse functionalization potential, continues to be a focal point in contemporary chemical research. Its applications span across drug discovery, asymmetric synthesis, and peptide chemistry, making it a compound of enduring interest to scientists worldwide.

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