Cas no 2228433-27-8 (N-(3,3-difluorocyclobutyl)methyl-N-methylhydroxylamine)

N-(3,3-Difluorocyclobutyl)methyl-N-methylhydroxylamine is a fluorinated cyclobutyl derivative with potential applications in medicinal chemistry and organic synthesis. Its structure features a difluorocyclobutyl ring, which enhances metabolic stability and bioavailability, making it valuable for drug discovery. The presence of both N-methyl and hydroxylamine functionalities offers versatility in further derivatization, enabling the formation of amides, nitrones, or other nitrogen-containing scaffolds. The difluorocyclobutyl moiety contributes to improved lipophilicity and conformational rigidity, which can influence binding affinity in bioactive molecules. This compound is particularly useful as a building block for the development of novel pharmaceuticals, agrochemicals, or specialty materials requiring fluorinated motifs.
N-(3,3-difluorocyclobutyl)methyl-N-methylhydroxylamine structure
2228433-27-8 structure
Product Name:N-(3,3-difluorocyclobutyl)methyl-N-methylhydroxylamine
CAS No:2228433-27-8
MF:C6H11F2NO
MW:151.154448747635
CID:6455126
PubChem ID:89489085
Update Time:2025-05-19

N-(3,3-difluorocyclobutyl)methyl-N-methylhydroxylamine Chemical and Physical Properties

Names and Identifiers

    • N-(3,3-difluorocyclobutyl)methyl-N-methylhydroxylamine
    • N-[(3,3-difluorocyclobutyl)methyl]-N-methylhydroxylamine
    • BWJHJMLHNYPAAK-UHFFFAOYSA-N
    • SCHEMBL14845840
    • 2228433-27-8
    • EN300-1947680
    • Inchi: 1S/C6H11F2NO/c1-9(10)4-5-2-6(7,8)3-5/h5,10H,2-4H2,1H3
    • InChI Key: WOYFGAGNVVYJCJ-UHFFFAOYSA-N
    • SMILES: FC1(CC(CN(C)O)C1)F

Computed Properties

  • Exact Mass: 151.08087030g/mol
  • Monoisotopic Mass: 151.08087030g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 121
  • 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: 1.2
  • Topological Polar Surface Area: 23.5?2

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Additional information on N-(3,3-difluorocyclobutyl)methyl-N-methylhydroxylamine

Professional Introduction to N-(3,3-difluorocyclobutyl)methyl-N-methylhydroxylamine (CAS No. 2228433-27-8)

N-(3,3-difluorocyclobutyl)methyl-N-methylhydroxylamine is a specialized organic compound characterized by its unique structural and chemical properties. This compound, identified by the CAS number 2228433-27-8, has garnered significant attention in the field of pharmaceutical research due to its potential applications in drug development and synthetic chemistry. The presence of both fluorine and hydroxylamine functional groups imparts distinct reactivity, making it a valuable intermediate in the synthesis of more complex molecules.

The structural motif of N-(3,3-difluorocyclobutyl)methyl-N-methylhydroxylamine consists of a cyclobutane ring substituted with two fluorine atoms, which enhances its stability and influences its electronic distribution. This modification is particularly noteworthy in medicinal chemistry, as fluorinated compounds often exhibit improved metabolic stability and bioavailability. The methyl and hydroxylamine groups further contribute to the compound's versatility, allowing for diverse functionalization and integration into larger molecular frameworks.

In recent years, the demand for innovative intermediates in drug discovery has led to extensive exploration of fluorinated hydroxylamines. These compounds are recognized for their ability to act as key building blocks in the synthesis of active pharmaceutical ingredients (APIs). Specifically, N-(3,3-difluorocyclobutyl)methyl-N-methylhydroxylamine has been investigated for its role in developing novel therapeutic agents targeting various diseases. Its unique structural features make it particularly suited for applications in the synthesis of small-molecule inhibitors and modulators.

One of the most compelling aspects of this compound is its potential in enhancing the pharmacokinetic properties of drug candidates. The incorporation of fluorine atoms into organic molecules is a well-established strategy to improve lipophilicity and reduce susceptibility to metabolic degradation. Additionally, the hydroxylamine moiety can participate in hydrogen bonding interactions, which is crucial for optimizing binding affinity to biological targets. These characteristics make N-(3,3-difluorocyclobutyl)methyl-N-methylhydroxylamine a promising candidate for further development in medicinal chemistry.

The synthesis of N-(3,3-difluorocyclobutyl)methyl-N-methylhydroxylamine involves multi-step organic transformations that highlight the compound's synthetic utility. Advanced methodologies, including transition-metal-catalyzed reactions and fluorination techniques, are employed to construct the desired framework efficiently. These synthetic approaches not only showcase the compound's versatility but also demonstrate the evolving capabilities of modern chemical synthesis. The ability to produce such complex molecules with high precision underscores their importance in advancing pharmaceutical research.

Recent studies have begun to explore the biological activity of derivatives derived from N-(3,3-difluorocyclobutyl)methyl-N-methylhydroxylamine. Researchers have reported promising results in identifying compounds with potential antimicrobial and anti-inflammatory properties. The structural features of this molecule allow for fine-tuning its interactions with biological systems, enabling the development of targeted therapies. Such findings highlight the compound's significance as a scaffold for drug discovery initiatives.

The role of computational chemistry and molecular modeling has been instrumental in understanding the behavior of N-(3,3-difluorocyclobutyl)methyl-N-methylhydroxylamine. Advanced computational methods enable researchers to predict how this compound will interact with biological targets at an atomic level. This predictive capability is crucial for designing experiments and optimizing synthetic routes efficiently. By leveraging computational tools alongside experimental data, scientists can accelerate the discovery process and bring new therapeutic agents to market more rapidly.

The future prospects for N-(3,3-difluorocyclobutyl)methyl-N-methylhydroxylamine are bright, with ongoing research aimed at expanding its applications in drug development. Collaborative efforts between academia and industry are expected to yield novel derivatives with enhanced pharmacological properties. As our understanding of molecular interactions continues to grow, compounds like this will play an increasingly vital role in addressing unmet medical needs.

In conclusion, N-(3,3-difluorocyclobutyl)methyl-N-methylhydroxylamine (CAS No. 2228433-27-8) represents a significant advancement in pharmaceutical chemistry. Its unique structural features and versatile reactivity make it a valuable intermediate for synthesizing complex molecules with potential therapeutic applications. With continued research and innovation, this compound is poised to contribute substantially to the development of next-generation drugs that improve human health.

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