Cas no 108871-73-4 (2-Chloro-N-(3,4-dimethylphenyl)propanamide)

2-Chloro-N-(3,4-dimethylphenyl)propanamide is a chloro-substituted propanamide derivative featuring a dimethylphenyl substituent. This compound is of interest in organic synthesis and pharmaceutical research due to its reactive chloro group and amide functionality, which serve as versatile intermediates for further chemical modifications. The presence of the 3,4-dimethylphenyl moiety enhances its potential as a building block for more complex structures, particularly in the development of agrochemicals or pharmacologically active molecules. Its well-defined molecular structure allows for precise reactivity in nucleophilic substitution or condensation reactions. The compound is typically characterized by high purity and stability under standard storage conditions, making it suitable for laboratory-scale applications.
2-Chloro-N-(3,4-dimethylphenyl)propanamide structure
108871-73-4 structure
Product Name:2-Chloro-N-(3,4-dimethylphenyl)propanamide
CAS No:108871-73-4
MF:C11H14ClNO
MW:211.687962055206
MDL:MFCD09939207
CID:2868658
PubChem ID:11586530
Update Time:2025-08-03

2-Chloro-N-(3,4-dimethylphenyl)propanamide Chemical and Physical Properties

Names and Identifiers

    • 2-chloro-propionic acid-(3,4-dimethyl-anilide)
    • 2-chloro-N-(3,4-dimethylphenyl)propanamide
    • Propanamide, 2-chloro-N-(3,4-dimethylphenyl)-
    • 108871-73-4
    • BBL037305
    • ALBB-002380
    • AKOS016345341
    • STK501981
    • EN300-27889
    • FC114025
    • 999-764-4
    • Z240089934
    • VS-14056
    • H22066
    • AKOS000179427
    • MFCD09939207
    • 2-Chloro-N-(3,4-dimethylphenyl)propanamide
    • MDL: MFCD09939207
    • Inchi: 1S/C11H14ClNO/c1-7-4-5-10(6-8(7)2)13-11(14)9(3)12/h4-6,9H,1-3H3,(H,13,14)
    • InChI Key: JOVJLKOOPAPWOK-UHFFFAOYSA-N
    • SMILES: ClC(C)C(NC1C=CC(C)=C(C)C=1)=O

Computed Properties

  • Exact Mass: 211.0763918Da
  • Monoisotopic Mass: 211.0763918Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 207
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.1
  • Topological Polar Surface Area: 29.1?2

2-Chloro-N-(3,4-dimethylphenyl)propanamide Security Information

2-Chloro-N-(3,4-dimethylphenyl)propanamide Pricemore >>

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Additional information on 2-Chloro-N-(3,4-dimethylphenyl)propanamide

Professional Introduction to 2-Chloro-N-(3,4-dimethylphenyl)propanamide (CAS No. 108871-73-4)

2-Chloro-N-(3,4-dimethylphenyl)propanamide, with the chemical identifier CAS No. 108871-73-4, is a compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal biology. This amide derivative exhibits a unique structural configuration that positions it as a promising candidate for further exploration in drug discovery and therapeutic applications. The presence of both chloro and methyl substituents on the aromatic ring, coupled with the propanamide moiety, contributes to its distinct chemical properties and potential biological activities.

The compound’s molecular structure, characterized by a chloro group at the 2-position and dimethyl substitution at the 3 and 4 positions of the phenyl ring, suggests potential interactions with biological targets such as enzymes and receptors. Such structural features are often exploited in the design of bioactive molecules to enhance binding affinity and selectivity. The propanamide side chain further influences the compound’s solubility and metabolic stability, which are critical factors in drug development.

In recent years, there has been a surge in research focused on amide-based compounds due to their versatility and efficacy in modulating biological pathways. The specific combination of substituents in 2-Chloro-N-(3,4-dimethylphenyl)propanamide makes it an intriguing subject for studying its pharmacological effects. Preliminary studies have hinted at its potential role in inhibiting certain enzymatic pathways that are implicated in inflammatory responses and neurodegenerative diseases.

One of the most compelling aspects of this compound is its potential application in the development of novel therapeutics for neurological disorders. The aromatic ring system, particularly when substituted with electron-withdrawing groups like chlorine, can interact with neurotransmitter receptors, offering a basis for designing molecules that modulate central nervous system activity. Current research is exploring its interactions with targets such as serotonin receptors, which are known to be involved in mood regulation and cognitive functions.

The synthesis of 2-Chloro-N-(3,4-dimethylphenyl)propanamide involves multi-step organic reactions that require precise control over reaction conditions to ensure high yield and purity. Advanced synthetic methodologies, including palladium-catalyzed cross-coupling reactions and transition-metal-mediated transformations, have been employed to construct the desired molecular framework efficiently. These synthetic strategies not only highlight the compound’s synthetic accessibility but also underscore the importance of modern chemical techniques in drug development.

Evaluation of the compound’s pharmacokinetic properties is essential for assessing its suitability as a drug candidate. Studies have indicated that modifications to the amide bond can significantly influence metabolic stability and bioavailability. The presence of both chloro and methyl groups may affect how the body processes the molecule, potentially leading to prolonged half-life or enhanced penetration across biological barriers such as blood-brain barrier.

The role of computational chemistry in understanding the behavior of 2-Chloro-N-(3,4-dimethylphenyl)propanamide cannot be overstated. Molecular modeling techniques have been instrumental in predicting binding affinities and identifying potential lead compounds for further optimization. By leveraging computational tools, researchers can simulate interactions with biological targets at an atomic level, providing insights that guide experimental design and validation.

In conclusion, 2-Chloro-N-(3,4-dimethylphenyl)propanamide (CAS No. 108871-73-4) represents a fascinating compound with significant potential in pharmaceutical applications. Its unique structural features make it a valuable scaffold for developing novel therapeutics targeting neurological disorders among other conditions. As research continues to uncover new biological pathways and mechanisms, compounds like this one are poised to play a crucial role in advancing medical treatments.

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