Cas no 135132-44-4 (1-{4-(difluoromethyl)sulfanylphenyl}ethan-1-amine)

1-{4-(Difluoromethyl)sulfanylphenyl}ethan-1-amine is a specialized organic compound featuring a difluoromethylthio (–SCF?H) substituent on the phenyl ring, paired with an ethanamine moiety. This structure imparts unique reactivity and potential utility in pharmaceutical and agrochemical applications, where the difluoromethylthio group can enhance metabolic stability and bioavailability. The amine functionality offers versatility for further derivatization, enabling its use as a key intermediate in the synthesis of bioactive molecules. Its well-defined molecular architecture ensures consistent performance in synthetic pathways, while the fluorine atoms contribute to favorable physicochemical properties. Suitable for research and industrial applications, this compound is characterized by high purity and stability under standard handling conditions.
1-{4-(difluoromethyl)sulfanylphenyl}ethan-1-amine structure
135132-44-4 structure
Product Name:1-{4-(difluoromethyl)sulfanylphenyl}ethan-1-amine
CAS No:135132-44-4
MF:C9H11F2NS
MW:203.252147912979
MDL:MFCD19686497
CID:4695918
Update Time:2025-06-13

1-{4-(difluoromethyl)sulfanylphenyl}ethan-1-amine Chemical and Physical Properties

Names and Identifiers

    • 1-{4-[(difluoromethyl)sulfanyl]phenyl}ethan-1-amine
    • (1R)-1-{4-[(difluoromethyl)sulfanyl]phenyl}ethan-1-amine
    • (1S)-1-{4-[(difluoromethyl)sulfanyl]phenyl}ethan-1-amine
    • 1-(4-(Difluoromethylthio)-phenyl)ethanamine
    • 1-{4-(difluoromethyl)sulfanylphenyl}ethan-1-amine
    • MDL: MFCD19686497
    • Inchi: 1S/C9H11F2NS/c1-6(12)7-2-4-8(5-3-7)13-9(10)11/h2-6,9H,12H2,1H3
    • InChI Key: WXWQNZDMLQXMKZ-UHFFFAOYSA-N
    • SMILES: S(C(F)F)C1C=CC(=CC=1)C(C)N

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 147
  • Topological Polar Surface Area: 51.3

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Additional information on 1-{4-(difluoromethyl)sulfanylphenyl}ethan-1-amine

Comprehensive Overview of 1-{4-(difluoromethyl)sulfanylphenyl}ethan-1-amine (CAS No. 135132-44-4)

1-{4-(difluoromethyl)sulfanylphenyl}ethan-1-amine (CAS No. 135132-44-4) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural properties. The compound features a difluoromethylsulfanyl group attached to a phenyl ring, which is further linked to an ethan-1-amine moiety. This combination of functional groups makes it a versatile intermediate for synthesizing bioactive molecules, particularly in the development of novel therapeutics and crop protection agents.

In recent years, the demand for fluorinated compounds like 1-{4-(difluoromethyl)sulfanylphenyl}ethan-1-amine has surged, driven by their enhanced metabolic stability and bioavailability. Researchers are particularly interested in its potential applications in drug discovery, where fluorinated analogs often exhibit improved pharmacokinetic profiles. The compound's sulfanylphenyl backbone also makes it a candidate for studying enzyme inhibition, a hot topic in cancer research and neurodegenerative disease therapeutics.

From an industrial perspective, CAS No. 135132-44-4 is frequently discussed in forums focusing on green chemistry and sustainable synthesis. With growing environmental concerns, chemists are exploring eco-friendly routes to synthesize such fluorinated amines, aligning with the principles of atom economy and reduced waste generation. This aligns with the broader trend of ESG (Environmental, Social, and Governance) compliance in chemical manufacturing.

The compound's nomenclature, 1-{4-(difluoromethyl)sulfanylphenyl}ethan-1-amine, often raises questions among students and professionals alike. Common search queries include "how to synthesize 1-{4-(difluoromethyl)sulfanylphenyl}ethan-1-amine" and "applications of difluoromethylsulfanyl groups in medicinal chemistry." These reflect the compound's relevance in academic and industrial training programs. Its structural complexity also makes it a frequent subject in NMR spectroscopy and mass spectrometry analysis tutorials.

In the context of intellectual property, CAS No. 135132-44-4 has been cited in several patents related to heterocyclic compound derivatives. This underscores its value in proprietary formulations, particularly in small molecule drug development. The rise of AI-driven drug design platforms has further amplified interest in such building blocks, as they serve as critical inputs for in silico screening libraries.

Quality control of 1-{4-(difluoromethyl)sulfanylphenyl}ethan-1-amine is another area of focus, with analytical methods like HPLC purity testing and residual solvent analysis being frequently discussed. Regulatory bodies emphasize stringent specifications for fluorinated intermediates, given their potential impact on downstream product safety. This has led to advancements in chiral separation techniques for enantiomerically pure forms of the compound.

Looking ahead, the compound's role in precision agriculture is being explored, particularly in designing next-generation pesticide adjuvants. Its sulfanyl moiety may contribute to targeted delivery systems, a key trend in smart farming solutions. Concurrently, collaborations between academia and industry are investigating its utility in material science, such as fluoropolymer modifications.

For researchers handling CAS No. 135132-44-4, proper storage conditions (typically under inert atmosphere) and handling protocols are essential considerations. While not classified as hazardous under standard regulations, its fluorinated nature warrants precautions during scale-up processes. These practical aspects are increasingly addressed in process chemistry webinars and good manufacturing practice (GMP) guidelines.

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