Cas no 2300-87-0 (3'-Trifluoromethyl-2,2-dimethylvaleranilide)

3'-Trifluoromethyl-2,2-dimethylvaleranilide is a specialized organic compound featuring a trifluoromethyl group and a dimethyl-substituted valeranilide backbone. Its unique structure imparts enhanced stability and lipophilicity, making it valuable in agrochemical and pharmaceutical research. The trifluoromethyl group contributes to improved metabolic resistance and bioactivity, while the dimethyl substitution at the 2-position enhances steric hindrance, influencing selectivity in target interactions. This compound is particularly useful as an intermediate in the synthesis of advanced active ingredients, where its structural motifs can optimize efficacy and environmental persistence. Its well-defined chemical properties support precise applications in drug discovery and crop protection formulations.
3'-Trifluoromethyl-2,2-dimethylvaleranilide structure
2300-87-0 structure
Product Name:3'-Trifluoromethyl-2,2-dimethylvaleranilide
CAS No:2300-87-0
MF:C14H18F3NO
MW:273.294034481049
CID:265423
PubChem ID:137535
Update Time:2025-08-05

3'-Trifluoromethyl-2,2-dimethylvaleranilide Chemical and Physical Properties

Names and Identifiers

    • Pentanamide,2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]-
    • 2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]pentanamide
    • 3'-TRIFLUOROMETHYL-2,2-DIMETHYLVALERANILIDE ---WHITE POWDER---
    • 3'-Trifluoromethyl-2,2-dimethylvaleranilide
    • MFCD00043453
    • 3-trifluoromethyl-2,2-dimethylvaleranilide
    • 2,2-Dimethyl-N-(3-(trifluoromethyl)phenyl)pentanamide
    • FT-0616414
    • Pentanamide, 2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]-
    • 2,2-Dimethyl-3'-(trifluoromethyl)pentanoanilide
    • 2300-87-0
    • SCHEMBL19638004
    • 2,2-Dimethyl-N-[3-(trifluoromethyl)phenyl]pentanamide #
    • 3'-(Trifluoromethyl)-2,2-dimethylvaleranilide
    • AKOS015852885
    • DTXSID70177556
    • A816482
    • 2, 2-dimethyl-N-[3-(trifluoromethyl)phenyl]pentanamide
    • MDL: MFCD00043453
    • Inchi: 1S/C14H18F3NO/c1-4-8-13(2,3)12(19)18-11-7-5-6-10(9-11)14(15,16)17/h5-7,9H,4,8H2,1-3H3,(H,18,19)
    • InChI Key: JZGSGKPJMMYYGT-UHFFFAOYSA-N
    • SMILES: FC(C1=CC=CC(=C1)NC(C(C)(C)CCC)=O)(F)F

Computed Properties

  • Exact Mass: 273.13400
  • Monoisotopic Mass: 273.13404868g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 6
  • 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: 4.9
  • Topological Polar Surface Area: 29.1?2

Experimental Properties

  • PSA: 29.10000
  • LogP: 4.54320

3'-Trifluoromethyl-2,2-dimethylvaleranilide Security Information

  • Hazard Statement: Irritant
  • Hazardous Material Identification: Xi

3'-Trifluoromethyl-2,2-dimethylvaleranilide 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%

3'-Trifluoromethyl-2,2-dimethylvaleranilide Pricemore >>

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Additional information on 3'-Trifluoromethyl-2,2-dimethylvaleranilide

3'-Trifluoromethyl-2,2-dimethylvaleranilide: A Comprehensive Overview

3'-Trifluoromethyl-2,2-dimethylvaleranilide (CAS No. 2300-87-0) is a specialized chemical compound that has garnered significant attention in the fields of organic chemistry and materials science. This compound is notable for its unique structural features, which include a trifluoromethyl group and a dimethyl-substituted valeranilide backbone. The combination of these groups imparts distinctive chemical and physical properties, making it a valuable component in various industrial and research applications.

The synthesis of 3'-Trifluoromethyl-2,2-dimethylvaleranilide involves a series of carefully controlled reactions that highlight the principles of modern organic chemistry. Recent advancements in catalytic methods have enabled more efficient and environmentally friendly production processes. For instance, researchers have explored the use of palladium-catalyzed coupling reactions to construct the trifluoromethyl group with high precision. These developments not only enhance the yield of the compound but also reduce the environmental footprint of its production.

One of the most promising applications of 3'-Trifluoromethyl-2,2-dimethylvaleranilide lies in its use as a precursor for advanced materials. The compound's ability to form stable amorphous layers has made it a key ingredient in the development of high-performance coatings and adhesives. Recent studies have demonstrated that films made from this compound exhibit exceptional resistance to thermal degradation and mechanical stress, making them ideal for use in aerospace and automotive industries.

In addition to its material science applications, 3'-Trifluoromethyl-2,2-dimethylvaleranilide has also found utility in pharmaceutical research. Its unique electronic properties make it an attractive candidate for drug delivery systems. For example, researchers have investigated its potential as a carrier for hydrophobic drugs, leveraging its ability to form self-assembled monolayers at biological interfaces. These findings underscore the compound's versatility and its potential to contribute to innovative medical solutions.

The toxicological profile of 3'-Trifluoromethyl-2,2-dimethylvaleranilide has been extensively studied to ensure its safe handling and application. Recent toxicology studies have revealed that the compound exhibits low acute toxicity when administered at typical industrial exposure levels. However, long-term exposure studies are still underway to fully characterize its potential health risks. Regulatory agencies have recommended implementing strict safety protocols during its production and use to minimize occupational hazards.

Looking ahead, the future of 3'-Trifluoromethyl-2,2-dimethylvaleranilide appears bright as researchers continue to unlock its full potential. Ongoing investigations into its photochemical properties are expected to pave the way for new applications in optoelectronics and energy storage systems. Furthermore, advancements in computational chemistry are enabling more accurate predictions of the compound's behavior under various conditions, facilitating its optimization for specific uses.

In conclusion, 3'-Trifluoromethyl-2,2-dimethylvaleranilide (CAS No. 2300-87-0) stands as a testament to the ingenuity of modern chemistry. Its versatile structure, coupled with cutting-edge synthesis methods and expanding range of applications, positions it as a key player in diverse industries. As research continues to deepen our understanding of this compound, it is poised to make even greater contributions to scientific and technological progress.

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