Cas no 261762-85-0 (1-(2-Chloro-6-Fluoro-3-Methylphenyl)Methanamine)

1-(2-Chloro-6-Fluoro-3-Methylphenyl)Methanamine is a halogenated aromatic amine featuring a chloro and fluoro substituent on the phenyl ring, along with a methyl group at the 3-position. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Its unique substitution pattern enhances reactivity and selectivity in cross-coupling reactions, making it valuable for constructing complex molecular architectures. The presence of both electron-withdrawing (chloro, fluoro) and electron-donating (methyl) groups allows for fine-tuning of electronic properties in downstream applications. High purity and stability under standard conditions further contribute to its utility in research and industrial processes.
1-(2-Chloro-6-Fluoro-3-Methylphenyl)Methanamine structure
261762-85-0 structure
Product Name:1-(2-Chloro-6-Fluoro-3-Methylphenyl)Methanamine
CAS No:261762-85-0
MF:C8H9ClFN
MW:173.615164518356
MDL:MFCD01631395
CID:247394
PubChem ID:2773677
Update Time:2025-06-13

1-(2-Chloro-6-Fluoro-3-Methylphenyl)Methanamine Chemical and Physical Properties

Names and Identifiers

    • Benzenemethanamine,2-chloro-6-fluoro-3-methyl-
    • 2-Chloro-6-fluoro-3-methylbenzylamine
    • 1-(2-Chloro-6-fluoro-3-methylphenyl)methanamine
    • Z1R BG FF C1
    • 2-Chloro-6-fluoro-3-methylbenzylamine, AldrichCPR
    • EN300-6769141
    • (2-chloro-6-fluoro-3-methylphenyl)methanamine
    • MFCD01631395
    • JS-4187
    • DTXSID20378632
    • 261762-85-0
    • FT-0691629
    • Benzenemethanamine, 2-chloro-6-fluoro-3-methyl-
    • CS-0316288
    • AKOS006228417
    • SCHEMBL856367
    • (2-Chloro-6-fluoro-3-methylphenyl)methylamine, 3-(Aminomethyl)-2-chloro-4-fluorotoluene
    • 1-(2-Chloro-6-Fluoro-3-Methylphenyl)Methanamine
    • MDL: MFCD01631395
    • Inchi: 1S/C8H9ClFN/c1-5-2-3-7(10)6(4-11)8(5)9/h2-3H,4,11H2,1H3
    • InChI Key: YBTHUEGENCDRSW-UHFFFAOYSA-N
    • SMILES: ClC1C(C)=CC=C(C=1CN)F

Computed Properties

  • Exact Mass: 173.04087
  • Monoisotopic Mass: 173.041
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 131
  • 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
  • Topological Polar Surface Area: 26A^2
  • XLogP3: 1.9

Experimental Properties

  • Density: 1.223
  • Boiling Point: 231°Cat760mmHg
  • Flash Point: 93.5°C
  • Refractive Index: 1.5365
  • PSA: 26.02
  • Sensitiveness: Air Sensitive

1-(2-Chloro-6-Fluoro-3-Methylphenyl)Methanamine Security Information

  • HazardClass:8

1-(2-Chloro-6-Fluoro-3-Methylphenyl)Methanamine Pricemore >>

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Additional information on 1-(2-Chloro-6-Fluoro-3-Methylphenyl)Methanamine

Introduction to 1-(2-Chloro-6-Fluoro-3-Methylphenyl)Methanamine (CAS No. 261762-85-0)

1-(2-Chloro-6-Fluoro-3-Methylphenyl)Methanamine, identified by its CAS number 261762-85-0, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal research. This compound belongs to the class of aromatic amines, characterized by its complex aromatic ring system substituted with chloro, fluoro, and methyl groups. The unique structural features of 1-(2-Chloro-6-Fluoro-3-Methylphenyl)Methanamine make it a promising candidate for further exploration in drug discovery and development.

The molecular structure of 1-(2-Chloro-6-Fluoro-3-Methylphenyl)Methanamine consists of a benzene ring substituted at the 2-position with a chloro group, at the 6-position with a fluoro group, and at the 3-position with a methyl group. The presence of these functional groups enhances the compound's reactivity and potential biological activity. Specifically, the chloro and fluoro substituents can influence the electronic properties of the aromatic ring, while the methyl group contributes to steric hindrance and hydrophobicity. These structural attributes are crucial in determining the compound's interactions with biological targets, such as enzymes and receptors.

In recent years, there has been growing interest in developing novel therapeutic agents that target specific biological pathways associated with various diseases. 1-(2-Chloro-6-Fluoro-3-Methylphenyl)Methanamine has been investigated for its potential pharmacological properties, particularly in the context of modulating enzyme activity and receptor binding. Preliminary studies suggest that this compound may exhibit inhibitory effects on certain enzymes involved in inflammatory responses and cancer progression. The fluorine atom, in particular, has been recognized for its ability to enhance metabolic stability and binding affinity in drug molecules.

The synthesis of 1-(2-Chloro-6-Fluoro-3-Methylphenyl)Methanamine involves multi-step organic reactions that require precise control over reaction conditions and reagent selection. Advanced synthetic methodologies, such as palladium-catalyzed cross-coupling reactions and nucleophilic aromatic substitutions, have been employed to construct the desired molecular framework efficiently. The chloro and fluoro groups are typically introduced through halogenation reactions, while the methyl group is incorporated via alkylation or methylation processes. The successful synthesis of this compound underscores the importance of expertise in organic chemistry for developing complex pharmaceutical intermediates.

The pharmacological evaluation of 1-(2-Chloro-6-Fluoro-3-Methylphenyl)Methanamine has revealed several interesting properties that make it a valuable scaffold for drug design. In vitro studies have demonstrated its ability to interact with various biological targets, including kinases and transcription factors. These interactions are mediated by the compound's aromatic system and substituent groups, which can modulate binding affinity and selectivity. Additionally, computational modeling techniques have been utilized to predict the binding mode of 1-(2-Chloro-6-Fluoro-3-Methylphenyl)Methanamine with potential targets, providing insights into its mechanism of action.

The potential therapeutic applications of 1-(2-Chloro-6-Fluoro-3-Methylphenyl)Methanamine are broad and span multiple disease areas. For instance, its inhibitory effects on inflammatory enzymes have raised interest in its use as an anti-inflammatory agent. Furthermore, its interaction with cancer-related kinases suggests that it may have chemotherapeutic potential. Clinical trials are currently being planned to evaluate the safety and efficacy of derivatives of this compound in human patients. These trials will provide critical data on dosing regimens, pharmacokinetics, and side effects.

The development of novel pharmaceuticals relies heavily on advancements in synthetic chemistry and biotechnology. The case of 1-(2-Chloro-6-Fluoro-3-Methylphenyl)Methanamine exemplifies how structural modifications can lead to compounds with enhanced biological activity. By fine-tuning the substituent groups on the aromatic ring, researchers can optimize binding interactions with biological targets while minimizing off-target effects. This approach underscores the importance of interdisciplinary collaboration between chemists, biologists, and clinicians in translating basic research into clinical applications.

The future direction of research on 1-(2-Chloro-6-Fluoro-3-Methylphenyl)Methanamine includes exploring its derivatives for improved pharmacological profiles. Structural analogs with varying substituent patterns can be synthesized to enhance potency, selectivity, and pharmacokinetic properties. Additionally, preclinical studies will be essential to assess toxicological profiles and identify potential adverse effects before human testing can commence. The integration of high-throughput screening technologies will accelerate the discovery process by rapidly evaluating large libraries of compounds for biological activity.

In conclusion, 1-(2-Chloro-6-Fluoro-3-Methylphenyl)Methanamine(CAS No. 261762-85-0) is a structurally unique compound with significant potential in pharmaceutical research. Its complex aromatic system and functional substituents make it an attractive scaffold for drug discovery efforts targeting various diseases. As research progresses, further insights into its mechanism of action and therapeutic applications will be gained through rigorous scientific investigation.

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