Cas no 2138266-90-5 (1-(1,4-dioxan-2-yl)methyl-1H-pyrazol-3-amine)

1-(1,4-dioxan-2-yl)methyl-1H-pyrazol-3-amine structure
2138266-90-5 structure
Product Name:1-(1,4-dioxan-2-yl)methyl-1H-pyrazol-3-amine
CAS No:2138266-90-5
MF:C8H13N3O2
MW:183.207721471786
CID:5755623
PubChem ID:165749939
Update Time:2025-10-29

1-(1,4-dioxan-2-yl)methyl-1H-pyrazol-3-amine Chemical and Physical Properties

Names and Identifiers

    • 2138266-90-5
    • EN300-1109667
    • 1-[(1,4-dioxan-2-yl)methyl]-1H-pyrazol-3-amine
    • 1-(1,4-dioxan-2-yl)methyl-1H-pyrazol-3-amine
    • Inchi: 1S/C8H13N3O2/c9-8-1-2-11(10-8)5-7-6-12-3-4-13-7/h1-2,7H,3-6H2,(H2,9,10)
    • InChI Key: APWAXSOLOLKLPF-UHFFFAOYSA-N
    • SMILES: O1CCOCC1CN1C=CC(N)=N1

Computed Properties

  • Exact Mass: 183.100776666g/mol
  • Monoisotopic Mass: 183.100776666g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 168
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.6
  • Topological Polar Surface Area: 62.3?2

1-(1,4-dioxan-2-yl)methyl-1H-pyrazol-3-amine Pricemore >>

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Additional information on 1-(1,4-dioxan-2-yl)methyl-1H-pyrazol-3-amine

1-(1,4-Dioxan-2-yl)methyl-1H-pyrazol-3-amine (CAS No. 2138266-90-5): A Comprehensive Overview

1-(1,4-Dioxan-2-yl)methyl-1H-pyrazol-3-amine (CAS No. 2138266-90-5) is a specialized organic compound that has garnered significant attention in pharmaceutical and chemical research. This compound, featuring a pyrazole core linked to a 1,4-dioxane moiety, exhibits unique properties that make it valuable for various applications. Researchers and industry professionals are increasingly interested in its synthesis, reactivity, and potential uses, particularly in drug discovery and material science.

The molecular structure of 1-(1,4-dioxan-2-yl)methyl-1H-pyrazol-3-amine combines the versatility of the pyrazole ring with the stability of the 1,4-dioxane group. This combination enhances its potential as a building block in medicinal chemistry. The presence of the amine group at the 3-position of the pyrazole ring further increases its reactivity, allowing for diverse chemical modifications. Such characteristics make it a promising candidate for the development of novel therapeutic agents.

In recent years, the demand for heterocyclic compounds like 1-(1,4-dioxan-2-yl)methyl-1H-pyrazol-3-amine has surged due to their applications in drug discovery and agrochemicals. The compound's ability to interact with biological targets has made it a subject of interest in the design of enzyme inhibitors and receptor modulators. Additionally, its stability under various conditions makes it suitable for use in high-throughput screening and combinatorial chemistry.

The synthesis of 1-(1,4-dioxan-2-yl)methyl-1H-pyrazol-3-amine typically involves multi-step reactions, starting from readily available precursors. Key steps often include the formation of the pyrazole ring followed by the introduction of the 1,4-dioxane moiety. Researchers have explored various catalytic and non-catalytic methods to optimize the yield and purity of the final product. Advances in green chemistry have also led to the development of more sustainable synthesis routes, reducing the environmental impact of production.

One of the most exciting aspects of 1-(1,4-dioxan-2-yl)methyl-1H-pyrazol-3-amine is its potential in central nervous system (CNS) drug development. The compound's ability to cross the blood-brain barrier and interact with neural receptors has sparked interest in its use for treating neurological disorders. Studies are ongoing to explore its efficacy in modulating neurotransmitter systems, which could lead to breakthroughs in conditions like anxiety, depression, and neurodegenerative diseases.

Beyond pharmaceuticals, 1-(1,4-dioxan-2-yl)methyl-1H-pyrazol-3-amine has applications in material science. Its unique structure allows it to act as a ligand in coordination chemistry, forming complexes with metals that have potential uses in catalysis and sensors. The compound's stability and solubility properties also make it a candidate for designing functional materials with tailored properties.

The market for 1-(1,4-dioxan-2-yl)methyl-1H-pyrazol-3-amine is expected to grow as research into its applications expands. Companies specializing in fine chemicals and custom synthesis are increasingly offering this compound to meet the demands of academic and industrial researchers. With the rise of precision medicine and personalized therapeutics, the need for specialized building blocks like this compound is likely to increase.

For researchers working with 1-(1,4-dioxan-2-yl)methyl-1H-pyrazol-3-amine, proper handling and storage are essential to maintain its integrity. The compound should be stored in a cool, dry place, protected from light and moisture. Standard laboratory safety protocols should be followed to ensure safe usage. While it is not classified as a hazardous material, appropriate precautions should always be taken when handling any chemical substance.

In conclusion, 1-(1,4-dioxan-2-yl)methyl-1H-pyrazol-3-amine (CAS No. 2138266-90-5) represents a versatile and valuable compound in modern chemistry. Its unique structural features and wide-ranging applications make it a subject of ongoing research and development. As scientific understanding of its properties and potential uses continues to grow, this compound is poised to play a significant role in advancing both pharmaceutical and material science fields.

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