Cas no 68319-86-8 ((5-bromo-2-ethoxyphenyl)amine hydrochloride)

(5-bromo-2-ethoxyphenyl)amine hydrochloride structure
68319-86-8 structure
Product Name:(5-bromo-2-ethoxyphenyl)amine hydrochloride
CAS No:68319-86-8
MF:C8H10BrNO
MW:216.07510137558
MDL:MFCD08686988
CID:3158690
PubChem ID:12423928
Update Time:2025-04-23

(5-bromo-2-ethoxyphenyl)amine hydrochloride Chemical and Physical Properties

Names and Identifiers

    • (5-bromo-2-ethoxyphenyl)amine hydrochloride
    • ALBB-026275
    • 5-bromo-2-ethoxyaniline hydrochloride
    • EN300-68275
    • Z330803642
    • AKOS000214997
    • MFCD08686988
    • G32443
    • CHEMBL4982342
    • 5-BROMO-2-ETHOXYANILINE
    • 68319-86-8
    • TCA31986
    • 830-834-8
    • MDL: MFCD08686988
    • Inchi: 1S/C8H10BrNO/c1-2-11-8-4-3-6(9)5-7(8)10/h3-5H,2,10H2,1H3
    • InChI Key: VVSSUPLMPJIGNN-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=C(C=1)N)OCC

Computed Properties

  • Exact Mass: 214.99458g/mol
  • Monoisotopic Mass: 214.99458g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 121
  • 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: 2.3
  • Topological Polar Surface Area: 35.2?2

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Additional information on (5-bromo-2-ethoxyphenyl)amine hydrochloride

Compound CAS No. 68319-86-8: (5-Bromo-2-Ethoxyphenyl)Amine Hydrochloride

The compound with CAS No. 68319-86-8, commonly referred to as (5-bromo-2-ethoxyphenyl)amine hydrochloride, is a significant organic compound with diverse applications in the fields of pharmaceuticals, agrochemicals, and material sciences. This compound is characterized by its unique structure, which includes a bromine atom at the 5-position and an ethoxy group at the 2-position of the phenyl ring, coupled with an amine group that forms a hydrochloride salt. The (5-bromo-2-ethoxyphenyl)amine hydrochloride structure makes it highly versatile for various chemical reactions and functionalizations.

Recent studies have highlighted the potential of (5-bromo-2-ethoxyphenyl)amine hydrochloride in drug discovery, particularly in the development of novel anti-cancer agents. Researchers have demonstrated that this compound exhibits selective cytotoxicity against certain cancer cell lines, suggesting its potential role in targeted therapies. The bromine substituent at the 5-position plays a critical role in modulating the compound's pharmacokinetic properties, while the ethoxy group enhances its solubility and bioavailability.

In addition to its pharmaceutical applications, (5-bromo-2-ethoxyphenyl)amine hydrochloride has shown promise in agrochemical research. Studies have indicated that this compound can act as an effective plant growth regulator, promoting root development and enhancing stress tolerance in crops. The ability of this compound to interact with specific cellular pathways makes it a valuable tool in sustainable agriculture.

The synthesis of (5-bromo-2-ethoxyphenyl)amine hydrochloride involves a multi-step process that typically begins with the bromination of an aromatic ring followed by nucleophilic substitution to introduce the ethoxy group. The final step involves the formation of the amine hydrochloride salt through acid-base neutralization. Recent advancements in catalytic methods have enabled more efficient and environmentally friendly syntheses of this compound, reducing production costs and minimizing waste.

From a structural perspective, (5-bromo-2-ethoxyphenyl)amine hydrochloride exhibits interesting electronic properties due to the electron-withdrawing effects of the bromine atom and the electron-donating effects of the ethoxy group. These properties make it a valuable substrate for further functionalization in organic synthesis. For instance, researchers have utilized this compound as a starting material for constructing heterocyclic frameworks, which are essential components of many bioactive molecules.

The application of (5-bromo-2-ethoxyphenyl)amine hydrochloride extends beyond traditional chemical synthesis into advanced materials science. Recent investigations have explored its use as a precursor for synthesizing conductive polymers and metal-organic frameworks (MOFs). These materials hold great potential in energy storage technologies, such as batteries and supercapacitors, due to their high surface area and tunable electronic properties.

In terms of safety and handling, (5-bromo-2-ethoxyphenyl)amine hydrochloride should be treated with care due to its chemical reactivity. Proper protective equipment should be worn during handling, and storage should be in accordance with standard laboratory practices to ensure stability and prevent contamination.

In conclusion, (5-bromo-2-ethoxyphenyl)amine hydrochloride is a multifaceted compound with significant implications across various scientific disciplines. Its unique structure, combined with recent advancements in synthesis and application techniques, positions it as a key player in modern chemical research. As ongoing studies continue to uncover new potentials for this compound, its role in advancing science and technology is expected to grow even further.

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