Cas no 53101-21-6 (5-chloro-N,N-dimethylpentanamide)

5-Chloro-N,N-dimethylpentanamide is a versatile chlorinated amide compound characterized by its reactive chloroalkyl group and dimethylamide functionality. This structure imparts solubility in polar organic solvents, making it a useful intermediate in organic synthesis, particularly for nucleophilic substitution reactions or further functionalization. The presence of the electron-withdrawing amide group enhances its stability while maintaining reactivity at the chloro-substituted carbon. Its balanced lipophilicity and molecular weight make it suitable for applications in pharmaceutical or agrochemical research, where it may serve as a precursor for bioactive molecules. The compound’s purity and well-defined reactivity profile ensure consistent performance in synthetic workflows.
5-chloro-N,N-dimethylpentanamide structure
53101-21-6 structure
Product Name:5-chloro-N,N-dimethylpentanamide
CAS No:53101-21-6
MF:C7H14ClNO
MW:163.645161151886
CID:1580753
PubChem ID:11252183
Update Time:2025-10-30

5-chloro-N,N-dimethylpentanamide Chemical and Physical Properties

Names and Identifiers

    • Pentanamide, 5-chloro-N,N-dimethyl-
    • 5-chloro-N,N-dimethylpentanamide
    • G35154
    • 5-Chlorovaleramide, N,N-dimethyl-
    • SCHEMBL9871724
    • DB-123954
    • DTXSID40460088
    • EN300-70364
    • 53101-21-6
    • Inchi: 1S/C7H14ClNO/c1-9(2)7(10)5-3-4-6-8/h3-6H2,1-2H3
    • InChI Key: OVBGEQMZKGFWPX-UHFFFAOYSA-N
    • SMILES: ClCCCCC(N(C)C)=O

Computed Properties

  • Exact Mass: 163.07652
  • Monoisotopic Mass: 163.0763918g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 4
  • Complexity: 104
  • 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
  • Topological Polar Surface Area: 20.3?2

Experimental Properties

  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 243.8±23.0 °C at 760 mmHg
  • Flash Point: 101.2±22.6 °C
  • PSA: 20.31
  • Vapor Pressure: 0.0±0.5 mmHg at 25°C

5-chloro-N,N-dimethylpentanamide Security Information

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Additional information on 5-chloro-N,N-dimethylpentanamide

Professional Introduction to Compound with CAS No. 53101-21-6 and Product Name: 5-chloro-N,N-dimethylpentanamide

The compound with the CAS number 53101-21-6 is identified as 5-chloro-N,N-dimethylpentanamide, a chemical entity that has garnered significant attention in the field of pharmaceutical and biochemical research. This compound, characterized by its unique structural and functional attributes, has been the subject of extensive studies aimed at elucidating its potential applications in drug development and molecular biology.

5-chloro-N,N-dimethylpentanamide belongs to the class of amides, which are widely recognized for their versatility in medicinal chemistry. The presence of a chlorine substituent at the fifth carbon atom and N,N-dimethylamino group at the nitrogen atom imparts distinct reactivity and binding properties to the molecule. These features make it a valuable scaffold for designing novel compounds with enhanced pharmacological activity.

Recent advancements in computational chemistry and molecular modeling have facilitated a deeper understanding of the interactions between 5-chloro-N,N-dimethylpentanamide and biological targets. Studies have demonstrated that this compound exhibits promising binding affinity to certain enzymes and receptors, suggesting its potential as an intermediate in the synthesis of therapeutic agents. For instance, research has indicated that derivatives of this molecule may interfere with pathways involved in inflammation and cancer progression, making it a candidate for further exploration in oncology and immunology.

The synthesis of 5-chloro-N,N-dimethylpentanamide involves multi-step organic reactions, typically starting from pentanoyl chloride and N,N-dimethylaniline. The chlorination step is critical, as it introduces the necessary electrophilic center for subsequent nucleophilic substitution reactions. Advanced synthetic methodologies, such as catalytic hydrogenation and asymmetric synthesis, have been employed to optimize yield and purity, ensuring that the final product meets stringent quality standards required for pharmaceutical applications.

In vitro studies have revealed that 5-chloro-N,N-dimethylpentanamide demonstrates moderate solubility in polar organic solvents, which is advantageous for formulating drug delivery systems. Its amphiphilic nature allows for integration into lipid-based nanoparticles or micelles, enhancing bioavailability and targeted delivery to specific tissues. This property is particularly relevant in the development of next-generation anticancer therapies that require precise localization to tumor sites.

Furthermore, the structural motif of 5-chloro-N,N-dimethylpentanamide has inspired the design of peptidomimetics—molecules that mimic the bioactivity of natural peptides without their drawbacks. By leveraging computational design tools, researchers have been able to modify key pharmacophoric elements of this compound to improve its metabolic stability and reduce immunogenicity. Such innovations are crucial for developing long-acting biologics with minimal side effects.

The role of 5-chloro-N,N-dimethylpentanamide in academic research extends beyond its direct application as a drug candidate. It serves as a versatile building block for generating libraries of diverse compounds through structure-activity relationship (SAR) studies. High-throughput screening (HTS) campaigns utilizing this scaffold have identified several hits with therapeutic potential, underscoring its value in drug discovery pipelines.

As interest in green chemistry grows, efforts have been made to develop sustainable synthetic routes for 5-chloro-N,N-dimethylpentanamide that minimize waste and energy consumption. Biocatalytic methods, employing engineered enzymes to perform key transformations, offer an environmentally friendly alternative to traditional chemical synthesis. Such approaches align with global initiatives to promote sustainable pharmaceutical manufacturing practices.

The future prospects for 5-chloro-N,N-dimethylpentanamide are bright, with ongoing research focusing on expanding its therapeutic applications. Collaborative efforts between academia and industry are essential to translate laboratory findings into clinical reality. By integrating cutting-edge technologies such as artificial intelligence (AI) for drug design and advanced analytical techniques for characterization, scientists are poised to unlock the full potential of this compound.

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