Cas no 1177342-31-2 (2-Amino-1-(4-fluoro-3-methylphenyl)ethan-1-one hydrochloride)

2-Amino-1-(4-fluoro-3-methylphenyl)ethan-1-one hydrochloride is a fluorinated aromatic ketone derivative with a primary amine functional group, rendered stable and water-soluble as its hydrochloride salt. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals and agrochemicals. The presence of both the fluoro and methyl substituents on the phenyl ring enhances its reactivity in electrophilic and nucleophilic transformations, while the hydrochloride form improves handling and storage stability. Its structural features make it valuable for constructing complex molecules, including potential bioactive compounds. The product is typically characterized by high purity and consistent performance in synthetic applications.
2-Amino-1-(4-fluoro-3-methylphenyl)ethan-1-one hydrochloride structure
1177342-31-2 structure
Product Name:2-Amino-1-(4-fluoro-3-methylphenyl)ethan-1-one hydrochloride
CAS No:1177342-31-2
MF:C9H11ClFNO
MW:203.641144990921
CID:4683631
Update Time:2025-05-19

2-Amino-1-(4-fluoro-3-methylphenyl)ethan-1-one hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 2-amino-1-(4-fluoro-3-methylphenyl)ethan-1-one hydrochloride
    • 2-Amino-1-(4-fluoro-3-methylphenyl)ethan-1-one hydrochloride
    • Inchi: 1S/C9H10FNO.ClH/c1-6-4-7(9(12)5-11)2-3-8(6)10;/h2-4H,5,11H2,1H3;1H
    • InChI Key: LSRXMCHRFSPLOO-UHFFFAOYSA-N
    • SMILES: Cl.FC1C=CC(C(CN)=O)=CC=1C

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 172
  • Topological Polar Surface Area: 43.1

2-Amino-1-(4-fluoro-3-methylphenyl)ethan-1-one hydrochloride Security Information

2-Amino-1-(4-fluoro-3-methylphenyl)ethan-1-one hydrochloride Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
A631035-10mg
2-Amino-1-(4-fluoro-3-methylphenyl)ethan-1-one Hydrochloride
1177342-31-2
10mg
$ 50.00 2022-06-07
TRC
A631035-50mg
2-Amino-1-(4-fluoro-3-methylphenyl)ethan-1-one Hydrochloride
1177342-31-2
50mg
$ 115.00 2022-06-07
TRC
A631035-100mg
2-Amino-1-(4-fluoro-3-methylphenyl)ethan-1-one Hydrochloride
1177342-31-2
100mg
$ 160.00 2022-06-07
Apollo Scientific
PC520813-250mg
2-Amino-1-(4-fluoro-3-methyl-phenyl)-ethanone monohydrochloride
1177342-31-2 95%
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£144.00 2023-09-02
Apollo Scientific
PC520813-500mg
2-Amino-1-(4-fluoro-3-methyl-phenyl)-ethanone monohydrochloride
1177342-31-2 95%
500mg
£240.00 2023-09-02
Apollo Scientific
PC520813-1g
2-Amino-1-(4-fluoro-3-methyl-phenyl)-ethanone monohydrochloride
1177342-31-2 95%
1g
£400.00 2023-09-02
Key Organics Ltd
MS-20528-0.25g
2-Amino-1-(4-fluoro-3-methyl-phenyl)-ethanone monohydrochloride
1177342-31-2 >95%
0.25g
£117.00 2025-02-08
Key Organics Ltd
MS-20528-0.5g
2-Amino-1-(4-fluoro-3-methyl-phenyl)-ethanone monohydrochloride
1177342-31-2 >95%
0.5g
£195.00 2025-02-08
Key Organics Ltd
MS-20528-1g
2-Amino-1-(4-fluoro-3-methyl-phenyl)-ethanone monohydrochloride
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A2B Chem LLC
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$221.00 2024-04-20

Additional information on 2-Amino-1-(4-fluoro-3-methylphenyl)ethan-1-one hydrochloride

Introduction to 2-Amino-1-(4-fluoro-3-methylphenyl)ethan-1-one hydrochloride (CAS No. 1177342-31-2)

2-Amino-1-(4-fluoro-3-methylphenyl)ethan-1-one hydrochloride, with the chemical formula C10H12ClFNO, is a compound of significant interest in the field of pharmaceutical chemistry and medicinal research. This compound belongs to the class of amides and has garnered attention due to its structural features and potential biological activities. The presence of both amino and carbonyl functional groups, coupled with a fluoro-substituted aromatic ring, makes it a versatile scaffold for further derivatization and exploration in drug discovery programs.

The hydrochloride salt form of this compound enhances its solubility in aqueous solutions, which is a critical factor for its formulation in pharmaceutical applications. This property facilitates its use in various experimental settings, including in vitro assays and preclinical studies. The fluoro-substituent at the 4-position of the phenyl ring is particularly noteworthy, as fluorine atoms are frequently incorporated into drug molecules to improve metabolic stability, binding affinity, and overall pharmacological efficacy.

Recent advancements in computational chemistry and molecular modeling have enabled researchers to predict the binding interactions of this compound with biological targets with greater precision. Studies suggest that 2-Amino-1-(4-fluoro-3-methylphenyl)ethan-1-one hydrochloride may exhibit inhibitory activity against certain enzymes and receptors involved in inflammatory pathways. This has opened up avenues for investigating its potential as an anti-inflammatory agent or a lead compound for the development of novel therapeutics.

In vitro studies have demonstrated that this compound can modulate the activity of enzymes such as cyclooxygenase (COX) and lipoxygenase (LOX), which are key players in the production of pro-inflammatory mediators. The fluoro-3-methylphenyl moiety is believed to contribute to its binding affinity by forming specific hydrogen bonds and hydrophobic interactions with the active sites of these enzymes. Such interactions could potentially lead to the development of drugs that offer improved therapeutic profiles compared to existing treatments.

The synthesis of 2-Amino-1-(4-fluoro-3-methylphenyl)ethan-1-one hydrochloride involves multi-step organic reactions, including condensation, nucleophilic substitution, and salt formation. The precise control of reaction conditions is essential to achieve high yields and purity levels, which are critical for pharmaceutical applications. Advances in synthetic methodologies, such as transition metal-catalyzed reactions and flow chemistry, have made it possible to produce this compound more efficiently and sustainably.

One of the most exciting aspects of this compound is its potential application in the treatment of neurological disorders. Preclinical data indicate that derivatives of this scaffold may interact with neurotransmitter receptors, such as serotonin and dopamine receptors, which are implicated in conditions like depression, anxiety, and neurodegenerative diseases. The amino group in the molecule provides a handle for further functionalization, allowing researchers to fine-tune its pharmacological properties.

The role of fluorinated aromatic compounds in medicinal chemistry cannot be overstated. These compounds often exhibit enhanced bioavailability and prolonged half-lives due to the electronic effects of fluorine atoms. The 4-fluoro-3-methylphenyl ring in 2-Amino-1-(4-fluoro-3-methylphenyl)ethan-1-one hydrochloride is a prime example of how fluorine substitution can enhance a molecule's pharmacokinetic profile. This has led to increased interest in developing fluorinated derivatives as next-generation therapeutics.

Recent publications have highlighted the use of this compound as a starting material for exploring novel drug candidates. By leveraging structure-based drug design techniques, researchers have been able to generate analogs with improved potency and selectivity. These efforts have not only expanded our understanding of the compound's biological activity but also provided valuable insights into the design principles for future drug development.

The impact of 2-Amino-1-(4-fluoro-3-methylphenyl)ethan-1-one hydrochloride extends beyond academic research; it has practical implications for industry-scale drug development. Pharmaceutical companies are increasingly investing in libraries containing fluorinated compounds due to their perceived advantages in therapeutic efficacy. This trend underscores the importance of compounds like this one in shaping the future landscape of medicine.

In conclusion, 2-Amino-1-(4-fluoro-3-methylphenyl)ethan-1-one hydrochloride (CAS No. 1177342-31-2) is a promising candidate for further investigation in pharmaceutical research. Its unique structural features, combined with its potential biological activities, make it a valuable tool for developing new treatments for various diseases. As our understanding of molecular interactions continues to evolve, compounds like this one will play an increasingly important role in advancing therapeutic strategies worldwide.

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