Cas no 2309467-49-8 (3,3-Difluorocycloheptan-1-amine;hydrochloride)

3,3-Difluorocycloheptan-1-amine hydrochloride is a fluorinated cycloheptylamine derivative with potential applications in pharmaceutical and agrochemical research. The presence of two fluorine atoms at the 3-position enhances its metabolic stability and lipophilicity, making it a valuable intermediate for drug discovery. The hydrochloride salt form improves solubility and handling properties. This compound is particularly useful in the synthesis of bioactive molecules, where the rigid cycloheptane scaffold can influence conformational selectivity. Its structural features may also facilitate the development of novel enzyme inhibitors or receptor modulators. Suitable for use under controlled laboratory conditions, it requires proper storage to maintain stability.
3,3-Difluorocycloheptan-1-amine;hydrochloride structure
2309467-49-8 structure
Product Name:3,3-Difluorocycloheptan-1-amine;hydrochloride
CAS No:2309467-49-8
MF:C7H14ClF2N
MW:185.64256811142
CID:4787139
Update Time:2025-08-03

3,3-Difluorocycloheptan-1-amine;hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 3,3-Difluorocycloheptan-1-amine;hydrochloride
    • Inchi: 1S/C7H13F2N.ClH/c8-7(9)4-2-1-3-6(10)5-7;/h6H,1-5,10H2;1H
    • InChI Key: WBLTUEWRFPMTPQ-UHFFFAOYSA-N
    • SMILES: Cl.FC1(CCCCC(C1)N)F

Computed Properties

  • Exact Mass: 185.0782835 g/mol
  • Monoisotopic Mass: 185.0782835 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 114
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 26
  • Molecular Weight: 185.64

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Additional information on 3,3-Difluorocycloheptan-1-amine;hydrochloride

3,3-Difluorocycloheptan-1-amine Hydrochloride: A Comprehensive Overview

3,3-Difluorocycloheptan-1-amine hydrochloride, also known by its CAS number 2309467-49-8, is a compound of significant interest in the fields of organic chemistry and materials science. This compound is characterized by its unique structure, which combines a cycloheptane ring with two fluorine atoms at the 3-position and an amine group at the 1-position. The hydrochloride salt form further enhances its stability and solubility properties, making it a valuable compound for various applications.

The synthesis of 3,3-difluorocycloheptan-1-amine hydrochloride involves a series of well-established organic reactions. The starting material typically undergoes fluorination to introduce the two fluorine atoms at the 3-position. Subsequent steps involve the formation of the amine group through reductive amination or other suitable methods. The final step involves protonation of the amine group to form the hydrochloride salt, ensuring optimal stability for storage and use.

Recent studies have highlighted the potential of 3,3-difluorocycloheptan-1-amine hydrochloride in drug discovery and development. Its unique structure allows for interactions with various biological targets, making it a promising candidate for therapeutic applications. Researchers have explored its role in modulating enzyme activity and its potential as a lead compound for developing new drugs targeting specific diseases.

In addition to its biological applications, 3,3-difluorocycloheptan-1-amine hydrochloride has shown promise in materials science. Its ability to form stable complexes with metal ions makes it a valuable component in the synthesis of coordination polymers and metal-organic frameworks (MOFs). These materials have applications in gas storage, catalysis, and sensing technologies.

The physical and chemical properties of 3,3-difluorocycloheptan-1-amine hydrochloride have been extensively studied. Its melting point, solubility, and stability under various conditions have been characterized using advanced analytical techniques such as X-ray crystallography and thermogravimetric analysis. These studies provide critical insights into its behavior under different environmental conditions.

The latest research on 3,3-difluorocycloheptan-1-amine hydrochloride has focused on its role in asymmetric catalysis. Scientists have demonstrated that this compound can act as an effective chiral ligand in enantioselective reactions, enabling the synthesis of complex chiral molecules with high enantiomeric excess. This discovery opens new avenues for its application in pharmaceuticals and fine chemicals.

In conclusion, 3,3-difluorocycloheptan-1-amine hydrochloride, with its CAS number 2309467-49-8, is a versatile compound with diverse applications across multiple disciplines. Its unique structure and properties make it a valuable tool in drug discovery, materials science, and catalysis. As research continues to uncover new potentials for this compound, it is poised to play an increasingly important role in advancing scientific and technological frontiers.

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