Cas no 1020252-82-7 (N-Ethyl 4-bromo-3-methylbenzamide)

N-Ethyl 4-bromo-3-methylbenzamide is a brominated aromatic amide compound with the molecular formula C??H??BrNO. This derivative of benzamide features an ethyl amide group at the carbonyl position and a bromo substituent at the para position relative to the methyl group on the benzene ring. Its well-defined structure makes it a valuable intermediate in organic synthesis, particularly in pharmaceutical and agrochemical research. The bromine moiety enhances reactivity for further functionalization, such as cross-coupling reactions, while the ethyl amide group contributes to solubility and stability. The compound is typically characterized by high purity and consistent performance in synthetic applications.
N-Ethyl 4-bromo-3-methylbenzamide structure
1020252-82-7 structure
Product Name:N-Ethyl 4-bromo-3-methylbenzamide
CAS No:1020252-82-7
MF:C10H12BrNO
MW:242.11238193512
MDL:MFCD09972131
CID:857079
PubChem ID:18712023
Update Time:2025-06-08

N-Ethyl 4-bromo-3-methylbenzamide Chemical and Physical Properties

Names and Identifiers

    • 4-Bromo-N-ethyl-3-methylbenzamide
    • N-Ethyl 4-bromo-3-methylbenzamide
    • DTXSID20595781
    • DB-371534
    • BS-19164
    • N-Ethyl4-bromo-3-methylbenzamide
    • SCHEMBL13753881
    • Benzamide, 4-bromo-N-ethyl-3-methyl-
    • AKOS015835273
    • N-ethyl-4-bromo-3-methylbenzamide
    • MFCD09972131
    • CS-0212497
    • 1020252-82-7
    • MDL: MFCD09972131
    • Inchi: 1S/C10H12BrNO/c1-3-12-10(13)8-4-5-9(11)7(2)6-8/h4-6H,3H2,1-2H3,(H,12,13)
    • InChI Key: PZCJWOZCVPXGOU-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(C(NCC)=O)=CC=1C

Computed Properties

  • Exact Mass: 241.01000
  • Monoisotopic Mass: 241.01023g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 184
  • 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: 29.1?2

Experimental Properties

  • Density: 1.354±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Slightly soluble (1.2 g/l) (25 o C),
  • PSA: 29.10000
  • LogP: 2.89810

N-Ethyl 4-bromo-3-methylbenzamide Customs Data

  • HS CODE:2924299090
  • Customs Data:

    China Customs Code:

    2924299090

    Overview:

    2924299090. Other cyclic amides(Including cyclic carbamates)(Including their derivatives as well as their salts). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, packing

    Summary:

    2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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N-Ethyl 4-bromo-3-methylbenzamide Suppliers

Amadis Chemical Company Limited
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(CAS:1020252-82-7)N-Ethyl 4-bromo-3-methylbenzamide
Order Number:A1097494
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 20:21
Price ($):617.0

Additional information on N-Ethyl 4-bromo-3-methylbenzamide

Professional Introduction to N-Ethyl 4-bromo-3-methylbenzamide (CAS No. 1020252-82-7)

N-Ethyl 4-bromo-3-methylbenzamide, with the chemical formula C10H10BrNO, is a significant compound in the field of pharmaceutical chemistry and medicinal research. This compound is characterized by its unique structural features, which include a benzamide core substituted with a bromine atom at the 4-position and a methyl group at the 3-position, further modified by an ethyl amine moiety. The presence of these functional groups makes it a versatile intermediate in the synthesis of various bioactive molecules.

The CAS number 1020252-82-7 provides a unique identifier for this compound, ensuring precise classification and referencing in scientific literature and databases. This numbering system is crucial for researchers to accurately retrieve and cite information related to N-Ethyl 4-bromo-3-methylbenzamide, facilitating efficient communication and collaboration within the scientific community.

In recent years, N-Ethyl 4-bromo-3-methylbenzamide has garnered attention due to its potential applications in drug discovery and development. The benzamide scaffold is well-known for its pharmacological properties, often serving as a key structural element in therapeutic agents targeting various diseases. The bromine substituent enhances the reactivity of the molecule, making it a valuable building block for further chemical modifications.

One of the most compelling aspects of N-Ethyl 4-bromo-3-methylbenzamide is its role as a precursor in the synthesis of more complex molecules. Researchers have leveraged its structural framework to develop novel compounds with enhanced biological activity. For instance, studies have shown that derivatives of this benzamide can exhibit potent inhibitory effects on certain enzymes and receptors, making them promising candidates for treating conditions such as inflammation and neurodegenerative disorders.

The ethyl amine group in N-Ethyl 4-bromo-3-methylbenzamide contributes to its versatility, allowing for further functionalization through various chemical reactions such as nucleophilic substitution or coupling reactions. This flexibility has enabled scientists to create a diverse array of analogs with tailored properties, optimizing their efficacy and selectivity for specific therapeutic targets.

Recent advancements in computational chemistry have also highlighted the importance of N-Ethyl 4-bromo-3-methylbenzamide in virtual screening campaigns. Molecular modeling techniques have been employed to predict the binding affinity of this compound and its derivatives to biological targets, streamlining the drug discovery process. These computational approaches have accelerated the identification of lead compounds, reducing the time and resources required for experimental validation.

In addition to its pharmaceutical applications, N-Ethyl 4-bromo-3-methylbenzamide has shown promise in materials science research. The unique electronic properties of its aromatic system make it a candidate for developing organic semiconductors and other advanced materials. By incorporating this compound into polymer matrices, researchers aim to enhance the conductivity and stability of these materials, opening up new possibilities for applications in electronics and renewable energy technologies.

The synthesis of N-Ethyl 4-bromo-3-methylbenzamide typically involves multi-step organic reactions starting from commercially available precursors. The bromination step at the 4-position is critical and often requires careful optimization to ensure high yield and purity. Similarly, the introduction of the methyl group at the 3-position must be carefully controlled to avoid unwanted side reactions. Advances in synthetic methodologies have improved the efficiency and scalability of these processes, making it more feasible to produce larger quantities of this compound for research purposes.

Quality control plays a pivotal role in ensuring the consistency and reliability of N-Ethyl 4-bromo-3-methylbenzamide for both academic and industrial applications. Analytical techniques such as nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry (MS), and high-performance liquid chromatography (HPLC) are routinely employed to confirm the identity and purity of the compound. These analytical methods provide detailed structural information and quantify impurities, ensuring that researchers receive a product meeting stringent specifications.

The growing interest in N-Ethyl 4-bromo-3-methylbenzamide has led to increased collaboration between academic institutions and pharmaceutical companies. Joint research initiatives aim to explore new synthetic routes, optimize production processes, and discover novel applications for this compound. Such collaborations foster innovation and accelerate progress in drug development by leveraging complementary expertise and resources.

The future prospects for N-Ethyl 4-bromo-3-methylbenzamide are promising, with ongoing research uncovering new possibilities for its use in medicine and materials science. As our understanding of molecular interactions continues to evolve, this compound is likely to play an increasingly important role in developing next-generation therapeutics and advanced materials. The combination of its structural versatility and functional properties makes it a valuable asset in the chemist's toolkit.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:1020252-82-7)N-Ethyl 4-bromo-3-methylbenzamide
A1097494
Purity:99%
Quantity:25g
Price ($):617.0
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