Cas no 1079992-97-4 (Methyl 6-fluoro-2-methyl-3-nitrobenzoate)

Methyl 6-fluoro-2-methyl-3-nitrobenzoate structure
1079992-97-4 structure
Product Name:Methyl 6-fluoro-2-methyl-3-nitrobenzoate
CAS No:1079992-97-4
MF:C9H8FNO4
MW:213.162526130676
MDL:MFCD28347723
CID:4560065
PubChem ID:59334469
Update Time:2025-07-23

Methyl 6-fluoro-2-methyl-3-nitrobenzoate Chemical and Physical Properties

Names and Identifiers

    • methyl 6-fluoro-2-methyl-3-nitrobenzoate
    • AMY5132
    • W11193
    • 6-Fluoro-2-methyl-3-nitro-benzoic acid methyl ester
    • SCHEMBL543121
    • VSAHHNFBEGJLEX-UHFFFAOYSA-N
    • AS-64608
    • DB-143471
    • methyl6-fluoro-2-methyl-3-nitrobenzoate
    • SY127456
    • CS-0038503
    • 1079992-97-4
    • AKOS027255773
    • MFCD28347723
    • Methyl 6-fluoro-2-methyl-3-nitrobenzoate
    • MDL: MFCD28347723
    • Inchi: 1S/C9H8FNO4/c1-5-7(11(13)14)4-3-6(10)8(5)9(12)15-2/h3-4H,1-2H3
    • InChI Key: VSAHHNFBEGJLEX-UHFFFAOYSA-N
    • SMILES: FC1=CC=C(C(C)=C1C(=O)OC)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 213.04373590g/mol
  • Monoisotopic Mass: 213.04373590g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 265
  • 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
  • XLogP3: 2.1
  • Topological Polar Surface Area: 72.1

Methyl 6-fluoro-2-methyl-3-nitrobenzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
ChemScence
CS-0038503-100mg
Methyl 6-fluoro-2-methyl-3-nitrobenzoate
1079992-97-4 99.64%
100mg
$74.0 2022-04-28
ChemScence
CS-0038503-250mg
Methyl 6-fluoro-2-methyl-3-nitrobenzoate
1079992-97-4 99.64%
250mg
$110.0 2022-04-28
ChemScence
CS-0038503-1g
Methyl 6-fluoro-2-methyl-3-nitrobenzoate
1079992-97-4 99.64%
1g
$274.0 2022-04-28
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
X11875-100mg
Methyl 6-fluoro-2-methyl-3-nitrobenzoate
1079992-97-4 95%
100mg
¥269.0 2024-07-18
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
X11875-1g
Methyl 6-fluoro-2-methyl-3-nitrobenzoate
1079992-97-4 95%
1g
¥1007.0 2024-07-18
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
X11875-250mg
Methyl 6-fluoro-2-methyl-3-nitrobenzoate
1079992-97-4 95%
250mg
¥405.0 2024-07-18
Alichem
A015013108-250mg
Methyl 6-fluoro-2-methyl-3-nitrobenzoate
1079992-97-4 97%
250mg
$504.00 2023-09-04
Alichem
A015013108-500mg
Methyl 6-fluoro-2-methyl-3-nitrobenzoate
1079992-97-4 97%
500mg
$839.45 2023-09-04
Alichem
A015013108-1g
Methyl 6-fluoro-2-methyl-3-nitrobenzoate
1079992-97-4 97%
1g
$1490.00 2023-09-04
Apollo Scientific
PC56316-250mg
Methyl 6-Fluoro-2-methyl-3-nitrobenzoate
1079992-97-4 95%
250mg
£48.00 2025-02-21

Additional information on Methyl 6-fluoro-2-methyl-3-nitrobenzoate

Methyl 6-fluoro-2-methyl-3-nitrobenzoate (CAS No. 1079992-97-4): A Key Intermediate in Modern Pharmaceutical Synthesis

Methyl 6-fluoro-2-methyl-3-nitrobenzoate (CAS No. 1079992-97-4) is a specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry due to its versatile structural features and potential applications in drug development. This compound, characterized by its fluoro, methyl, and nitro substituents, serves as a crucial intermediate in the synthesis of various bioactive molecules. The presence of these functional groups not only enhances its reactivity but also contributes to its utility in constructing complex molecular architectures essential for medicinal chemistry.

The chemical structure of Methyl 6-fluoro-2-methyl-3-nitrobenzoate consists of a benzoate core substituted with a fluoro group at the 6-position, a methyl group at the 2-position, and a nitro group at the 3-position. This specific arrangement of substituents imparts unique electronic and steric properties to the molecule, making it an attractive candidate for further functionalization. The fluoro group, in particular, is known for its ability to modulate metabolic stability, binding affinity, and pharmacokinetic profiles of drug candidates, which has been extensively explored in recent years.

In recent years, there has been a surge in research focused on the development of novel therapeutic agents targeting various diseases. Methyl 6-fluoro-2-methyl-3-nitrobenzoate has emerged as a valuable building block in this endeavor. Its structural motifs are frequently incorporated into small molecule inhibitors and activators designed to interact with biological targets such as enzymes and receptors. For instance, studies have demonstrated its utility in the synthesis of kinase inhibitors, where the fluoro and nitro groups play pivotal roles in optimizing binding interactions.

The pharmaceutical industry has increasingly recognized the importance of fluorinated compounds due to their enhanced bioavailability and improved pharmacological properties. Methyl 6-fluoro-2-methyl-3-nitrobenzoate exemplifies this trend by serving as a precursor for numerous fluorinated drug candidates. Researchers have leveraged its reactivity to introduce additional functional groups or to explore different synthetic pathways that lead to high-value intermediates. These efforts have culminated in several patents and publications highlighting its role in developing next-generation therapeutics.

One notable application of Methyl 6-fluoro-2-methyl-3-nitrobenzoate is in the synthesis of antiviral agents. The unique electronic properties conferred by the fluoro and nitro substituents make it an ideal candidate for designing molecules that can disrupt viral replication mechanisms. Recent studies have shown promising results when this compound is used as an intermediate in creating novel antiviral drugs with improved efficacy and reduced side effects. The ability to fine-tune its chemical properties allows chemists to tailor the molecule for specific therapeutic applications.

The role of Methyl 6-fluoro-2-methyl-3-nitrobenzoate extends beyond antiviral applications; it is also being explored in the development of anticancer agents. Cancer research has identified several targets where fluorinated compounds exhibit significant activity. By incorporating Methyl 6-fluoro-2-methyl-3-nitrobenzoate into drug design strategies, researchers aim to develop molecules that can selectively inhibit cancer cell proliferation while sparing healthy cells. The nitro group, known for its ability to generate reactive species under certain conditions, has been particularly interesting in this context.

The synthesis of Methyl 6-fluoro-2-methyl-3-nitrobenzoate involves multi-step organic transformations that highlight the compound's synthetic versatility. Advanced synthetic methodologies have been employed to achieve high yields and purity levels, ensuring its suitability for pharmaceutical applications. Techniques such as palladium-catalyzed cross-coupling reactions and transition metal-catalyzed oxidations have been instrumental in constructing its complex framework efficiently. These synthetic advances underscore the compound's importance as a research tool and industrial intermediate.

The growing interest in Methyl 6-fluoro-2-methyl-3-nitrobenzoate has spurred further innovation in drug discovery platforms. Academic institutions and pharmaceutical companies are increasingly collaborating to explore new derivatives and analogs derived from this intermediate. Such collaborations aim to accelerate the discovery process by leveraging shared expertise and resources. The compound's well-documented reactivity profile provides a solid foundation for designing experiments that can rapidly yield novel bioactive molecules.

The future prospects for Methyl 6-fluoro-2-methyl-3-nitrobenzoate are promising, with ongoing research expected to uncover new applications across multiple therapeutic areas. As computational chemistry tools become more sophisticated, virtual screening methods are being used to identify potential drug candidates derived from this intermediate more efficiently than ever before. This integration of computational and experimental approaches holds great promise for accelerating the development of next-generation therapeutics.

In conclusion, Methyl 6-fluoro-2-methyl-3-nitrobenzoate (CAS No. 1079992-97-4) represents a cornerstone compound in modern pharmaceutical synthesis. Its unique structural features make it an invaluable intermediate for developing innovative drug candidates across various therapeutic modalities. As research continues to evolve, this compound is poised to play an even greater role in advancing medical science and improving patient outcomes worldwide.

Recommended suppliers
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.
Shandong Jing Kun Chemical Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Jing Kun Chemical Co.,Ltd.
Wuhan ChemNorm Biotech Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Wuhan ChemNorm Biotech Co.,Ltd.
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
Handan Zechi Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk