Cas no 223381-60-0 (1-benzyl-N-methyl-azetidin-3-amine)

1-Benzyl-N-methyl-azetidin-3-amine is a versatile azetidine derivative featuring a benzyl group at the 1-position and a methylamine substituent at the 3-position. This compound is of significant interest in medicinal chemistry due to its constrained azetidine ring, which enhances rigidity and improves binding affinity in drug design. The presence of both benzyl and methylamine moieties offers opportunities for further functionalization, making it a valuable intermediate in the synthesis of bioactive molecules. Its well-defined structure and stability under standard conditions facilitate its use in exploratory research, particularly in the development of small-molecule therapeutics targeting central nervous system disorders and other pharmacological applications.
1-benzyl-N-methyl-azetidin-3-amine structure
223381-60-0 structure
Product Name:1-benzyl-N-methyl-azetidin-3-amine
CAS No:223381-60-0
MF:C11H16N2
MW:176.258142471313
CID:1028828
PubChem ID:11275340
Update Time:2025-11-02

1-benzyl-N-methyl-azetidin-3-amine Chemical and Physical Properties

Names and Identifiers

    • 1-Benzyl-N-methylazetidin-3-amine
    • 1-benzyl-N-methyl-azetidin-3-amine
    • 3-Azetidinamine, N-methyl-1-(phenylmethyl)-
    • N-methyl-1-(phenylmethyl)azetidin-3-amine
    • N-methyl-1-(phenylmethyl)-3-azetidinamine
    • AKOS006317446
    • SCHEMBL8187685
    • 223381-60-0
    • SB51175
    • DTXSID20460824
    • A816118
    • N-Methyl-1-(phenylmethyl)-3-azetidinamine 2HCl
    • Inchi: 1S/C11H16N2/c1-12-11-8-13(9-11)7-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3
    • InChI Key: YQKXKQBIHONSOW-UHFFFAOYSA-N
    • SMILES: N1(CC2C=CC=CC=2)CC(C1)NC

Computed Properties

  • Exact Mass: 176.131348519g/mol
  • Monoisotopic Mass: 176.131348519g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 146
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.2
  • Topological Polar Surface Area: 15.3?2

Experimental Properties

  • Density: 1.04
  • Boiling Point: 253 oC
  • Flash Point: 100 oC

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1-benzyl-N-methyl-azetidin-3-amine Related Literature

Additional information on 1-benzyl-N-methyl-azetidin-3-amine

Comprehensive Guide to 1-Benzyl-N-methyl-azetidin-3-amine (CAS No. 223381-60-0): Properties, Applications, and Market Insights

1-Benzyl-N-methyl-azetidin-3-amine (CAS No. 223381-60-0) is a specialized organic compound that has garnered significant attention in pharmaceutical and chemical research. This azetidine derivative is characterized by its unique structural features, including a benzyl group and a methylamine substituent, which contribute to its diverse reactivity and potential applications. Researchers and industry professionals are increasingly interested in this compound due to its role as a building block in drug discovery and material science.

The molecular structure of 1-Benzyl-N-methyl-azetidin-3-amine features a four-membered azetidine ring, which is known for its ring strain and unique chemical behavior. This structural motif is particularly valuable in medicinal chemistry, as it can influence the bioavailability and metabolic stability of potential drug candidates. The presence of the benzyl group at the 1-position and the methylamine at the 3-position makes this compound a versatile intermediate for further chemical modifications.

Recent advancements in heterocyclic chemistry have highlighted the importance of azetidine derivatives like 1-Benzyl-N-methyl-azetidin-3-amine. These compounds are being explored for their potential in developing new central nervous system (CNS) therapeutics, as the azetidine ring can mimic certain natural neurotransmitters. Additionally, the compound's stability under various conditions makes it suitable for high-throughput screening in drug discovery programs.

In the pharmaceutical industry, 1-Benzyl-N-methyl-azetidin-3-amine is primarily used as a key intermediate in the synthesis of more complex molecules. Its applications extend to the development of enzyme inhibitors and receptor modulators, particularly in neurological and psychiatric drug research. The compound's ability to serve as a scaffold for diverse pharmacological agents has made it a subject of numerous patent applications and research publications.

The synthesis of 1-Benzyl-N-methyl-azetidin-3-amine typically involves multi-step organic reactions, starting from readily available precursors. Modern synthetic approaches often employ catalytic methods to improve yield and selectivity, reflecting the growing demand for green chemistry practices in the chemical industry. Researchers are particularly interested in developing atom-economical routes to this valuable intermediate.

From a commercial perspective, the market for azetidine-based compounds like 1-Benzyl-N-methyl-azetidin-3-amine is experiencing steady growth. This trend is driven by increasing investment in pharmaceutical R&D and the expanding applications of small molecule therapeutics. Suppliers and manufacturers are focusing on improving production scalability to meet the rising demand from academic and industrial laboratories worldwide.

Quality control of 1-Benzyl-N-methyl-azetidin-3-amine is crucial for its various applications. Analytical techniques such as HPLC, NMR spectroscopy, and mass spectrometry are routinely employed to ensure purity and confirm structural integrity. These quality assurance measures are particularly important when the compound is used in drug discovery and medicinal chemistry applications.

Storage and handling of 1-Benzyl-N-methyl-azetidin-3-amine require standard laboratory precautions. The compound should be kept in airtight containers under appropriate conditions to maintain stability. While not classified as hazardous under normal handling conditions, proper laboratory safety protocols should always be followed when working with this chemical.

The future outlook for 1-Benzyl-N-methyl-azetidin-3-amine appears promising, with ongoing research exploring its potential in various therapeutic areas. As the understanding of azetidine chemistry deepens, new applications for this compound are likely to emerge in fields ranging from drug development to material science. Its versatility as a chemical building block ensures continued interest from the scientific community.

For researchers seeking high-quality 1-Benzyl-N-methyl-azetidin-3-amine, it's essential to source the compound from reputable suppliers who can provide comprehensive analytical data and certificates of analysis. The availability of custom synthesis services has also made this compound more accessible to laboratories with specific requirements for purity or isotopic labeling.

In conclusion, 1-Benzyl-N-methyl-azetidin-3-amine (CAS No. 223381-60-0) represents an important class of nitrogen-containing heterocycles with wide-ranging applications in modern chemistry and pharmaceutical research. Its unique structural features and synthetic versatility continue to make it a valuable tool for scientists working in medicinal chemistry, drug discovery, and related fields.

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