Cas no 1389313-43-2 (4,4-difluoro-1-methylcyclohexan-1-amine hydrochloride)

4,4-Difluoro-1-methylcyclohexan-1-amine hydrochloride is a fluorinated cyclohexylamine derivative with potential applications in pharmaceutical and agrochemical research. The incorporation of fluorine atoms enhances metabolic stability and lipophilicity, making it a valuable intermediate for drug discovery. The hydrochloride salt form improves solubility and handling properties. The methyl group at the 1-position introduces steric effects, which can influence reactivity and selectivity in synthetic pathways. This compound is particularly useful in the development of bioactive molecules, where fluorination is leveraged to modulate pharmacokinetic properties. Its well-defined structure and high purity make it suitable for precise chemical transformations in medicinal chemistry and material science applications.
4,4-difluoro-1-methylcyclohexan-1-amine hydrochloride structure
1389313-43-2 structure
Product Name:4,4-difluoro-1-methylcyclohexan-1-amine hydrochloride
CAS No:1389313-43-2
MF:C7H14ClF2N
MW:185.64256811142
MDL:MFCD22375776
CID:4596285
PubChem ID:66570467
Update Time:2025-10-28

4,4-difluoro-1-methylcyclohexan-1-amine hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 4,4-Difluoro-1-methylcyclohexan-1-amine hydrochloride
    • 4, 4-DIFLU0R0-1- METHYLCYCLOHEXAN-l-AMINE HYDROCHLORIDE
    • 4,4-difluoro-1-methylcyclohexan-1-amine hydrochloride
    • MDL: MFCD22375776
    • Inchi: 1S/C7H13F2N.ClH/c1-6(10)2-4-7(8,9)5-3-6;/h2-5,10H2,1H3;1H
    • InChI Key: UMRIKMRVJWFTBX-UHFFFAOYSA-N
    • SMILES: C1CC(N)(C)CCC1(F)F.Cl

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0

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4,4-difluoro-1-methylcyclohexan-1-amine hydrochloride Related Literature

Additional information on 4,4-difluoro-1-methylcyclohexan-1-amine hydrochloride

Comprehensive Overview of 4,4-Difluoro-1-methylcyclohexan-1-amine Hydrochloride (CAS No. 1389313-43-2)

4,4-Difluoro-1-methylcyclohexan-1-amine hydrochloride (CAS No. 1389313-43-2) is a fluorinated organic compound that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural properties. The presence of difluoro groups and a methylamine moiety in its cyclohexane backbone makes it a versatile intermediate for synthesizing bioactive molecules. Researchers are increasingly exploring its potential in drug discovery, particularly for targeting central nervous system (CNS) disorders and metabolic diseases, aligning with the growing demand for novel therapeutic agents.

The compound's CAS number 1389313-43-2 is frequently searched in chemical databases, reflecting its relevance in modern synthetic chemistry. Its hydrochloride salt form enhances stability and solubility, making it suitable for formulation studies. Recent trends in AI-driven drug design have highlighted the importance of fluorinated compounds like 4,4-difluoro-1-methylcyclohexan-1-amine, as fluorine atoms can improve pharmacokinetic properties such as membrane permeability and metabolic resistance. This aligns with industry inquiries about "fluorine in drug development" and "improving drug bioavailability."

From a synthetic perspective, 4,4-difluoro-1-methylcyclohexan-1-amine HCl serves as a key building block for cyclohexylamine derivatives, a class of compounds under investigation for antimicrobial and anti-inflammatory applications. Its difluoromethyl group is a hotspot in medicinal chemistry, often associated with enhanced binding affinity to biological targets. Queries like "role of difluoro groups in medicinal chemistry" and "cyclohexane-based drug intermediates" are common among researchers, underscoring the compound's interdisciplinary appeal.

Environmental and regulatory considerations also drive interest in CAS 1389313-43-2. The compound's halogenated structure prompts discussions about sustainable synthesis methods, resonating with searches for "green chemistry approaches for fluorinated compounds." Its application in crop protection chemicals further connects to trending topics like "next-gen agrochemicals" and "low-residue pesticides," addressing global concerns about food security and environmental impact.

Analytical characterization of 4,4-difluoro-1-methylcyclohexan-1-amine hydrochloride typically involves NMR, HPLC, and mass spectrometry techniques—frequently searched terms in analytical chemistry forums. The compound's purity profile is critical for end-use applications, particularly in GMP-compliant pharmaceutical manufacturing. This correlates with industry demands for "high-purity amine derivatives" and "QC methods for fluorinated APIs."

In material science, the cyclohexylamine scaffold of this compound shows promise in polymer modification and catalysis. The electron-withdrawing nature of its difluoro groups influences material properties, linking to searches about "fluorine in advanced materials" and "amine-functionalized polymers." Such interdisciplinary applications demonstrate why 1389313-43-2 remains a compound of interest across multiple research domains.

Supply chain dynamics for 4,4-difluoro-1-methylcyclohexan-1-amine HCl reflect broader chemical industry trends, with searches for "specialty chemical suppliers" and "custom fluorination services" increasing. The compound's niche application spectrum requires stringent storage conditions—often queried as "amine hydrochloride stability guidelines"—highlighting operational considerations for end-users.

Future research directions for CAS 1389313-43-2 may explore its enantioselective synthesis, given the pharmacological importance of chiral amines. This aligns with growing interest in "asymmetric synthesis of fluorinated compounds" and "chiral building blocks for drug discovery." As the scientific community prioritizes targeted therapies, the demand for structurally nuanced intermediates like this difluoromethylated cyclohexylamine is expected to rise.

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