Cas no 90032-59-0 (Benzamide, 2-bromo-N-(1-methylethyl)-N-(phenylmethyl)-)

Benzamide, 2-bromo-N-(1-methylethyl)-N-(phenylmethyl)-, is a brominated benzamide derivative featuring a substituted isopropyl and benzyl group on the nitrogen center. This compound is of interest in synthetic organic chemistry due to its potential as an intermediate in the preparation of pharmacologically active molecules or agrochemicals. The presence of the bromine atom at the 2-position enhances its reactivity, making it suitable for further functionalization via cross-coupling reactions or nucleophilic substitutions. Its structural features, including the sterically hindered amide group, may also influence binding properties in biological systems. The compound is typically handled under controlled conditions due to its sensitivity to moisture and light.
Benzamide, 2-bromo-N-(1-methylethyl)-N-(phenylmethyl)- structure
90032-59-0 structure
Product Name:Benzamide, 2-bromo-N-(1-methylethyl)-N-(phenylmethyl)-
CAS No:90032-59-0
MF:C17H18BrNO
MW:332.234923839569
CID:796137
PubChem ID:1379271
Update Time:2025-09-19

Benzamide, 2-bromo-N-(1-methylethyl)-N-(phenylmethyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzamide, 2-bromo-N-(1-methylethyl)-N-(phenylmethyl)-
    • N-benzyl-2-bromo-N-propan-2-ylbenzamide
    • AB00082508-01
    • 90032-59-0
    • N-benzyl-2-bromo-N-(propan-2-yl)benzamide
    • AKOS000202687
    • DTXSID20968294
    • A1-05012
    • SCHEMBL3456449
    • 5354-32-5
    • Inchi: 1S/C17H18BrNO/c1-13(2)19(12-14-8-4-3-5-9-14)17(20)15-10-6-7-11-16(15)18/h3-11,13H,12H2,1-2H3
    • InChI Key: NHXZKFPAKHXJDK-UHFFFAOYSA-N
    • SMILES: BrC1C=CC=CC=1C(N(CC1C=CC=CC=1)C(C)C)=O

Computed Properties

  • Exact Mass: 331.05718g/mol
  • Monoisotopic Mass: 331.05718g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 4
  • Complexity: 312
  • 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: 4.4
  • Topological Polar Surface Area: 20.3?2

Benzamide, 2-bromo-N-(1-methylethyl)-N-(phenylmethyl)- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1615951-5g
N-benzyl-2-bromo-N-isopropylbenzamide
90032-59-0 98%
5g
¥11411.00 2024-04-26

Additional information on Benzamide, 2-bromo-N-(1-methylethyl)-N-(phenylmethyl)-

Benzamide, 2-Bromo-N-(1-Methylethyl)-N-(Phenylmethyl)-: A Comprehensive Overview

Benzamide, 2-bromo-N-(1-methylethyl)-N-(phenylmethyl)-, also known by its CAS No. 90032-59-0, is a significant compound in the field of organic chemistry. This compound has garnered attention due to its unique structural properties and potential applications in various chemical industries. The benzamide core of the molecule serves as a versatile platform for further functionalization, while the 2-bromo substituent introduces reactivity that can be exploited in synthetic pathways. Additionally, the presence of N-(1-methylethyl) and N-(phenylmethyl) groups enhances the compound's versatility, making it a valuable intermediate in the synthesis of complex molecules.

Recent studies have highlighted the role of benzamide derivatives in medicinal chemistry, particularly in the development of bioactive compounds. The 2-bromo group in this compound is particularly interesting as it can act as a leaving group in substitution reactions, facilitating the introduction of diverse functional groups. This property has been leveraged in the synthesis of novel pharmaceutical agents, where precise control over molecular architecture is crucial. For instance, researchers have explored the use of this compound as a precursor for constructing heterocyclic frameworks, which are integral to many drug molecules.

The N-(1-methylethyl) and N-(phenylmethyl) substituents contribute significantly to the compound's physical and chemical properties. The 1-methylethyl group introduces steric bulk, which can influence reaction selectivity and stability. On the other hand, the phenylmethyl group enhances aromaticity and can participate in π-π interactions, making it useful in supramolecular chemistry applications. These features make benzamide derivatives like this compound ideal for exploring non-covalent interactions and self-assembly processes.

From a synthetic standpoint, benzamide derivatives are often employed as intermediates due to their ease of preparation and functional group compatibility. The synthesis of Benzamide, 2-bromo-N-(1-methylethyl)-N-(phenylmethyl)- typically involves multi-step processes that incorporate bromination and alkylation steps. Recent advancements in catalytic methods have improved the efficiency of these reactions, enabling better control over stereochemistry and regioselectivity.

In terms of applications, this compound has found utility in material science as well. Its ability to form stable amide bonds makes it a candidate for polymer synthesis and modification. Researchers have also investigated its potential as a building block for constructing advanced materials with tailored properties, such as stimuli-responsive polymers or high-performance composites.

Moreover, the environmental impact of such compounds has become a focal point in sustainable chemistry research. Studies are underway to assess the biodegradability and toxicity of benzamide derivatives like this one. Understanding their environmental fate is crucial for developing eco-friendly synthetic routes and minimizing ecological risks.

In conclusion, Benzamide, 2-bromo-N-(1-methylethyl)-N-(phenylmethyl)- (CAS No. 90032-59-0) stands out as a versatile and valuable compound with diverse applications across multiple disciplines. Its unique structure allows for extensive functionalization, making it an essential tool in modern organic synthesis.

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