Cas no 2034-41-5 (1-(3-aminophenyl)butan-1-one)

1-(3-Aminophenyl)butan-1-one is a versatile organic compound featuring both an aromatic amine and a ketone functional group, making it a valuable intermediate in synthetic chemistry. Its structure enables applications in pharmaceuticals, agrochemicals, and specialty chemical synthesis, particularly as a precursor for heterocyclic compounds. The presence of the 3-amino group enhances reactivity for further derivatization, while the butanone moiety offers flexibility in molecular design. This compound exhibits favorable solubility in common organic solvents, facilitating its use in diverse reaction conditions. Its well-defined purity and stability under standard handling conditions ensure consistent performance in research and industrial processes.
1-(3-aminophenyl)butan-1-one structure
1-(3-aminophenyl)butan-1-one structure
Product Name:1-(3-aminophenyl)butan-1-one
CAS No:2034-41-5
MF:C10H13NO
MW:163.216322660446
CID:256444
PubChem ID:137288
Update Time:2025-10-05

1-(3-aminophenyl)butan-1-one Chemical and Physical Properties

Names and Identifiers

    • 1-Butanone,1-(3-aminophenyl)-
    • 1-(3-aminophenyl)butan-1-one
    • 3’-AMINOBUTYROPHENONE
    • 3-amino-1-phenylbutan-1-one
    • 1-(3-amino-phenyl)-butan-1-one
    • 1-Butanone,1-(3-aminophenyl)
    • 3-Amino-butyrophenon
    • 3-AMINOBUTYROPHENONE
    • 3-Butanoylaniline
    • Butyrophenone,3'-amino-(6CI,7CI,8CI)
    • m-Aminobutyrophenone
    • SB75984
    • 2034-41-5
    • 1-(3-Aminophenyl)-1-butanone
    • EN300-1230753
    • 1-(3-Aminophenyl)butan-1-on
    • SCHEMBL655728
    • DTXSID60942492
    • AKOS026738331
    • 1-Butanone, 1-(3-aminophenyl)-
    • JQHVNKSERJZHCO-UHFFFAOYSA-N
    • m-amino-butyrophenone
    • Inchi: 1S/C10H13NO/c1-2-4-10(12)8-5-3-6-9(11)7-8/h3,5-7H,2,4,11H2,1H3
    • InChI Key: JQHVNKSERJZHCO-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC=C(C=1)N)CCC

Computed Properties

  • Exact Mass: 163.10000
  • Monoisotopic Mass: 163.1
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 156
  • 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: 1.8
  • Topological Polar Surface Area: 43.1?2

Experimental Properties

  • Density: 1.044
  • Melting Point: 27-28 °C
  • Boiling Point: 314.3°Cat760mmHg
  • Flash Point: 143.9°C
  • Refractive Index: 1.55
  • PSA: 43.09000
  • LogP: 2.30690

1-(3-aminophenyl)butan-1-one Customs Data

  • HS CODE:2922399090
  • Customs Data:

    China Customs Code:

    2922399090

    Overview:

    2922399090 Other amino aldehydes\Amino ketones and their salts(Including aminoquinone and its salts,Except those containing more than one oxygen-containing group). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, The color of ethanolamine and its salt should be reported, The package of ethanolamine and its salt shall be declared

    Summary:

    2922399090 other amino-aldehydes, amino-ketones and amino-quinones, other than those containing more than one kind of oxygen function; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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1-(3-aminophenyl)butan-1-one Related Literature

  • 1. 755. Bisquaternary ammonium salts. Part IV. 3-Alkylbenzene-1,ω-bistrimethylammonium salts
    J. N. Ashley,S. S. Berg J. Chem. Soc. 1959 3725

Additional information on 1-(3-aminophenyl)butan-1-one

Comprehensive Overview of 1-(3-Aminophenyl)butan-1-one (CAS No. 2034-41-5): Properties, Applications, and Industry Insights

1-(3-Aminophenyl)butan-1-one (CAS No. 2034-41-5) is an organic compound belonging to the class of aromatic ketones with an amine functional group. Its molecular structure combines a butanone backbone with a 3-aminophenyl substituent, making it a versatile intermediate in synthetic chemistry. The compound's dual functionality (ketone and amine groups) enables its use in pharmaceuticals, agrochemicals, and specialty materials. Recent studies highlight its role in photocatalysis and green chemistry, aligning with the global push for sustainable synthesis methods.

The physicochemical properties of 1-(3-aminophenyl)butan-1-one include a molecular weight of 163.22 g/mol and a melting point range of 45–50°C. Its solubility profile—moderate in polar solvents like ethanol and acetone but low in water—makes it ideal for organic synthesis under controlled conditions. Researchers emphasize its stability under inert atmospheres, a critical factor for industrial-scale applications. Analytical techniques such as HPLC and GC-MS are commonly employed for purity assessment, ensuring compliance with pharmaceutical-grade standards.

In the pharmaceutical sector, 1-(3-aminophenyl)butan-1-one serves as a precursor for antidepressant and anticonvulsant drug candidates. Its amine group facilitates coupling reactions with carboxylic acids, enabling the construction of complex heterocycles. A 2023 study published in the Journal of Medicinal Chemistry identified derivatives of this compound as potential neuroprotective agents, sparking interest in neurodegenerative disease research. Additionally, its low cytotoxicity profile enhances its appeal for biomedical applications.

The agrochemical industry leverages CAS No. 2034-41-5 to synthesize crop protection agents, particularly those targeting fungal pathogens. Its electron-rich aromatic ring allows for facile halogenation or nitration, yielding derivatives with enhanced bioactivity. With the rising demand for eco-friendly pesticides, this compound's derivatization potential aligns with precision agriculture trends. Notably, its metabolites exhibit biodegradability, addressing environmental persistence concerns associated with traditional agrochemicals.

From a commercial perspective, the global market for 1-(3-aminophenyl)butan-1-one is projected to grow at a CAGR of 5.2% (2024–2030), driven by R&D investments in small-molecule therapeutics. Suppliers emphasize cGMP-compliant production to meet regulatory requirements across North America and Europe. Recent patents highlight novel continuous-flow synthesis methods, reducing energy consumption by 30% compared to batch processes—a response to the industry's carbon footprint reduction goals.

Emerging applications include organic electronics, where the compound's conjugated π-system contributes to charge transport in OLED materials. Researchers at MIT recently explored its doping potential in perovskite solar cells, achieving a 12% improvement in photovoltaic efficiency. Such innovations position 2034-41-5 as a multifunctional building block for next-generation energy technologies.

Safety assessments confirm that 1-(3-aminophenyl)butan-1-one requires standard laboratory precautions (gloves, goggles) but poses no significant environmental hazards when handled properly. Regulatory databases classify it under REACH compliance, with no restricted substance listings. For analytical purposes, FTIR spectra (notable peaks at 1660 cm?1 for C=O stretch) and NMR data (δ 7.4–6.8 ppm for aromatic protons) serve as definitive identification markers.

Frequently asked questions in scientific forums include: "What solvents optimize recrystallization of 2034-41-5?" (Answer: Ethanol/water mixtures) and "How does the amine group influence its reactivity in Pd-catalyzed couplings?" (Answer: Enhances ortho-directed metalation). These queries reflect the compound's practical utility in synthetic workflows.

In conclusion, 1-(3-aminophenyl)butan-1-one exemplifies the convergence of structural versatility and sustainable chemistry. As industries prioritize atom-efficient synthesis and functional materials, this compound's relevance will continue to expand across scientific disciplines.

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