Cas no 70325-82-5 (2-Methyl-1-(phenylmethyl)-3-pyrrolidinamine)

2-Methyl-1-(phenylmethyl)-3-pyrrolidinamine is a pyrrolidine-based amine compound featuring a phenylmethyl substituent at the 1-position and a methyl group at the 2-position. This structure imparts unique steric and electronic properties, making it a valuable intermediate in organic synthesis and pharmaceutical research. Its pyrrolidine core offers conformational flexibility, while the phenylmethyl group enhances lipophilicity, potentially improving bioavailability in drug design applications. The compound’s amine functionality allows for further derivatization, enabling the development of targeted molecules for medicinal chemistry or agrochemical studies. Suitable for controlled reactions, it is often utilized in the synthesis of bioactive compounds or as a building block for chiral ligands in asymmetric catalysis.
2-Methyl-1-(phenylmethyl)-3-pyrrolidinamine structure
70325-82-5 structure
Product Name:2-Methyl-1-(phenylmethyl)-3-pyrrolidinamine
CAS No:70325-82-5
MF:C12H18N2
MW:190.284722805023
MDL:MFCD00190594
CID:974983
PubChem ID:12861920
Update Time:2025-11-04

2-Methyl-1-(phenylmethyl)-3-pyrrolidinamine Chemical and Physical Properties

Names and Identifiers

    • 2-Methyl-1-(phenylmethyl)-3-pyrrolidinamine
    • 1-benzyl-2-methylpyrrolidin-3-amine
    • 1-Benzyl-2-methyl-3-pyrrolidinamine
    • 3-amino-n-benzyl-2-methylpyrrolidine
    • 3-Pyrrolidinamine,2-methyl-1-(phenylmethyl)
    • cis-3-amino-1-benzyl-2-methylpyrrolidine
    • 3-Amino-1-benzyl-2-methylpyrrolidine
    • (2S,3S)-1-benzyl-2-methyl-pyrrolidin-3-amine
    • 187091-67-4
    • 70325-82-5
    • DTXSID80511765
    • SFEGZLNDKUGHQJ-UHFFFAOYSA-N
    • EN300-213108
    • FT-0671936
    • AKOS006274947
    • 202742-87-8
    • (2R,3R)-1-benzyl-2-methyl-pyrrolidin-3-amine
    • SCHEMBL2908450
    • DB-261272
    • MDL: MFCD00190594
    • Inchi: 1S/C12H18N2/c1-10-12(13)7-8-14(10)9-11-5-3-2-4-6-11/h2-6,10,12H,7-9,13H2,1H3
    • InChI Key: SFEGZLNDKUGHQJ-UHFFFAOYSA-N
    • SMILES: N1(CC2C=CC=CC=2)CCC(C1C)N

Computed Properties

  • Exact Mass: 190.14700
  • Monoisotopic Mass: 190.146998583g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 175
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.4
  • Topological Polar Surface Area: 29.3?2

Experimental Properties

  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 271.7±33.0 °C at 760 mmHg
  • Flash Point: 109.6±20.5 °C
  • PSA: 29.26000
  • LogP: 2.24630
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

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2-Methyl-1-(phenylmethyl)-3-pyrrolidinamine Production Method

Additional information on 2-Methyl-1-(phenylmethyl)-3-pyrrolidinamine

Introduction to 2-Methyl-1-(phenylmethyl)-3-pyrrolidinamine (CAS No. 70325-82-5) in Modern Chemical and Pharmaceutical Research

2-Methyl-1-(phenylmethyl)-3-pyrrolidinamine, identified by its CAS number 70325-82-5, is a compound of significant interest in the realm of chemical and pharmaceutical research. This molecule, featuring a pyrrolidine core substituted with a methyl group at the 2-position and a phenylmethyl (benzyl) group at the 1-position, has garnered attention due to its structural complexity and potential biological activities. The pyrrolidine scaffold is a common motif in bioactive molecules, often contributing to interactions with biological targets such as enzymes and receptors.

The chemical structure of 2-Methyl-1-(phenylmethyl)-3-pyrrolidinamine suggests potential applications in drug discovery and development. The presence of both lipophilic and polar functional groups enhances its solubility and binding affinity, making it a candidate for various pharmacological applications. Recent studies have highlighted the importance of pyrrolidine derivatives in medicinal chemistry, particularly in the design of small-molecule inhibitors and modulators.

In the context of modern pharmaceutical research, compounds like 2-Methyl-1-(phenylmethyl)-3-pyrrolidinamine are often explored for their ability to modulate biological pathways relevant to diseases such as cancer, neurodegenerative disorders, and inflammatory conditions. The pyrrolidinamine moiety, in particular, has been implicated in several pharmacological mechanisms, including enzyme inhibition and receptor binding. For instance, derivatives of pyrrolidine have shown promise in inhibiting kinases and other enzymes involved in cell signaling pathways.

One of the most compelling aspects of 2-Methyl-1-(phenylmethyl)-3-pyrrolidinamine is its versatility as a building block for more complex molecules. Researchers have leveraged its scaffold to develop novel analogs with enhanced potency and selectivity. The benzyl group at the 1-position provides a handle for further chemical modifications, allowing for the introduction of additional functional groups that can fine-tune pharmacokinetic properties such as bioavailability and metabolic stability.

The synthesis of 2-Methyl-1-(phenylmethyl)-3-pyrrolidinamine typically involves multi-step organic reactions, starting from readily available precursors. Common synthetic routes include nucleophilic substitution reactions, reductive amination, and cyclization strategies. The choice of synthetic pathway depends on factors such as yield, scalability, and the availability of starting materials. Advances in synthetic methodologies have enabled more efficient production processes, making it feasible to explore this compound in larger-scale studies.

From a biological activity perspective, preliminary studies on 2-Methyl-1-(phenylmethyl)-3-pyrrolidinamine have suggested potential interactions with various biological targets. For example, its structural similarity to known bioactive molecules has prompted investigations into its effects on enzyme activity and receptor binding. While comprehensive toxicological data is still limited, early findings indicate that this compound exhibits low toxicity at tested doses, suggesting its potential as a lead compound for further development.

The integration of computational chemistry techniques has further accelerated the exploration of 2-Methyl-1-(phenylmethyl)-3-pyrrolidinamine. Molecular modeling studies have been instrumental in predicting binding affinities and identifying key interaction sites with biological targets. These insights have guided experimental efforts toward optimizing the compound's pharmacological profile. Additionally, high-throughput screening (HTS) approaches have been employed to rapidly assess the biological activity of this compound against large libraries of targets.

In conclusion, 2-Methyl-1-(phenylmethyl)-3-pyrrolidinamine (CAS No. 70325-82-5) represents a promising candidate for further exploration in pharmaceutical research. Its unique structural features, combined with its potential biological activities, make it an attractive scaffold for developing novel therapeutic agents. As research continues to uncover new applications for this compound, it is likely to play an increasingly important role in addressing unmet medical needs across various therapeutic areas.

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