Cas no 62517-38-8 (Benzenamine, 4-(2,2-dimethylpropoxy)-)

Benzenamine, 4-(2,2-dimethylpropoxy)- structure
62517-38-8 structure
Product Name:Benzenamine, 4-(2,2-dimethylpropoxy)-
CAS No:62517-38-8
MF:C11H17NO
MW:179.258783102036
CID:390619
PubChem ID:14255182
Update Time:2025-09-22

Benzenamine, 4-(2,2-dimethylpropoxy)- Chemical and Physical Properties

Names and Identifiers

    • 4-(2,2-dimethylpropoxy)aniline
    • Benzenamine, 4-(2,2-dimethylpropoxy)-
    • 2,2-dimethyl-1,3-(4-aminophenoxy)propane
    • 62517-38-8
    • KS-5642
    • BB 0237080
    • AKOS016341375
    • SCHEMBL2560729
    • 4-(Neopentyloxy)aniline
    • DTXSID50558081
    • MDL: MFCD06801150
    • Inchi: 1S/C11H17NO/c1-11(2,3)8-13-10-6-4-9(12)5-7-10/h4-7H,8,12H2,1-3H3
    • InChI Key: QFHUFLZJXAZQNK-UHFFFAOYSA-N
    • SMILES: O(C1C=CC(=CC=1)N)CC(C)(C)C

Computed Properties

  • Exact Mass: 179.131014166g/mol
  • Monoisotopic Mass: 179.131014166g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 143
  • 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: 2.6
  • Topological Polar Surface Area: 35.2?2

Benzenamine, 4-(2,2-dimethylpropoxy)- Pricemore >>

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Additional information on Benzenamine, 4-(2,2-dimethylpropoxy)-

Benzenamine, 4-(2,2-dimethylpropoxy)- (CAS No. 62517-38-8): A Comprehensive Overview in Modern Chemical Research

Benzenamine, 4-(2,2-dimethylpropoxy)-, identified by its CAS number 62517-38-8, is a significant compound in the realm of organic chemistry and pharmaceutical research. This aromatic amine derivative has garnered attention due to its unique structural properties and potential applications in drug development and material science. The compound's molecular structure, featuring a benzene ring substituted with an amine group at the 4-position and an isobutoxy group at the 2-position, imparts distinct chemical reactivity and functional versatility.

The synthesis of Benzenamine, 4-(2,2-dimethylpropoxy)- involves meticulous chemical processes that highlight the compound's complexity. The introduction of the isobutoxy group enhances the molecule's solubility in various organic solvents, making it a valuable intermediate in synthetic chemistry. Recent advancements in catalytic methods have improved the efficiency of its production, reducing byproducts and optimizing yield. These improvements are crucial for large-scale applications in pharmaceutical manufacturing.

In the context of pharmaceutical research, Benzenamine, 4-(2,2-dimethylpropoxy)- has been explored for its potential role as a precursor in the synthesis of bioactive molecules. Its aromatic core and amine functionality make it a versatile scaffold for drug design. For instance, researchers have investigated its utility in creating novel compounds that exhibit antimicrobial and anti-inflammatory properties. The isobutoxy side chain contributes to the molecule's lipophilicity, which is often an essential characteristic for drug candidates to ensure adequate membrane permeability.

Recent studies have also delved into the compound's interactions with biological targets. The amine group can participate in hydrogen bonding interactions with proteins and enzymes, making it a promising candidate for designing selective inhibitors. Additionally, the presence of the isobutoxy group allows for further functionalization, enabling chemists to tailor the molecule's properties for specific therapeutic applications. These findings underscore the compound's significance in medicinal chemistry.

The application of computational chemistry has further enhanced our understanding of Benzenamine, 4-(2,2-dimethylpropoxy)-. Molecular modeling studies have revealed insights into its binding affinity and metabolic stability. These simulations help predict how the compound might behave within biological systems, guiding experimental design and optimization efforts. Such computational approaches are increasingly integral to modern drug discovery pipelines.

Beyond pharmaceuticals, Benzenamine, 4-(2,2-dimethylpropoxy)- finds utility in material science. Its structural features make it a candidate for developing novel polymers and coatings with enhanced durability and chemical resistance. The compound's ability to form stable complexes with other molecules also opens avenues for applications in catalysis and sensors.

The safety and handling of Benzenamine, 4-(2,2-dimethylpropoxy)- are critical considerations in industrial and laboratory settings. While not classified as a hazardous substance under standard regulations, proper protocols must be followed to ensure safe handling. Storage conditions should minimize exposure to light and moisture to prevent degradation. Personal protective equipment (PPE) such as gloves and safety goggles is recommended when working with this compound.

The environmental impact of using Benzenamine, 4-(2,2-dimethylpropoxy)- is another area of concern. Efforts are underway to develop greener synthetic routes that reduce waste and energy consumption. Biocatalytic methods are being explored as alternatives to traditional chemical synthesis, offering a more sustainable approach to producing this compound.

In conclusion, Benzenamine, 4-(2,2-dimethylpropoxy)-, with its CAS number 62517-38-8, represents a fascinating subject of study in chemical research. Its unique structure and functional properties make it valuable in pharmaceuticals, material science, and beyond. As research continues to uncover new applications and synthetic methods for this compound, its importance in modern chemistry is likely to grow further.

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