Cas no 1806352-00-0 (Ethyl 3,6-dimethyl-2-fluorobenzoate)

Ethyl 3,6-dimethyl-2-fluorobenzoate is a fluorinated aromatic ester characterized by its distinct molecular structure, incorporating both methyl and fluorine substituents on the benzoate ring. This compound is valued for its utility as an intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and specialty materials. The presence of the fluorine atom enhances its reactivity and stability, making it suitable for selective functionalization reactions. The ethyl ester group further improves solubility in organic solvents, facilitating its use in various reaction conditions. Its well-defined structure and purity make it a reliable building block for researchers seeking to explore fluorinated aromatic systems.
Ethyl 3,6-dimethyl-2-fluorobenzoate structure
1806352-00-0 structure
Product Name:Ethyl 3,6-dimethyl-2-fluorobenzoate
CAS No:1806352-00-0
MF:C11H13FO2
MW:196.218127012253
CID:4794937
Update Time:2025-06-09

Ethyl 3,6-dimethyl-2-fluorobenzoate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 3,6-dimethyl-2-fluorobenzoate
    • Inchi: 1S/C11H13FO2/c1-4-14-11(13)9-7(2)5-6-8(3)10(9)12/h5-6H,4H2,1-3H3
    • InChI Key: OWJVJZWLTZPLIQ-UHFFFAOYSA-N
    • SMILES: FC1=C(C)C=CC(C)=C1C(=O)OCC

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 206
  • XLogP3: 3
  • Topological Polar Surface Area: 26.3

Ethyl 3,6-dimethyl-2-fluorobenzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A015005541-250mg
Ethyl 3,6-dimethyl-2-fluorobenzoate
1806352-00-0 97%
250mg
480.00 USD 2021-05-31
Alichem
A015005541-500mg
Ethyl 3,6-dimethyl-2-fluorobenzoate
1806352-00-0 97%
500mg
831.30 USD 2021-05-31
Alichem
A015005541-1g
Ethyl 3,6-dimethyl-2-fluorobenzoate
1806352-00-0 97%
1g
1,519.80 USD 2021-05-31

Additional information on Ethyl 3,6-dimethyl-2-fluorobenzoate

Introduction to Ethyl 3,6-dimethyl-2-fluorobenzoate (CAS No. 1806352-00-0)

Ethyl 3,6-dimethyl-2-fluorobenzoate (CAS No. 1806352-00-0) is a synthetic organic compound that has garnered significant attention in recent years due to its unique chemical structure and potential applications in various fields, including pharmaceuticals, materials science, and chemical synthesis. This compound belongs to the class of esters and features a fluorinated aromatic ring with two methyl substituents, making it an intriguing subject for both academic research and industrial development.

The molecular formula of Ethyl 3,6-dimethyl-2-fluorobenzoate is C11H13FO2, and its molecular weight is approximately 198.21 g/mol. The presence of the fluorine atom in the aromatic ring imparts unique electronic and steric properties to the molecule, which can influence its reactivity and biological activity. These properties make it a valuable intermediate in the synthesis of more complex molecules and pharmaceutical agents.

Recent studies have explored the potential of Ethyl 3,6-dimethyl-2-fluorobenzoate in drug discovery and development. One notable application is in the synthesis of fluorinated pharmaceuticals, where the fluorine atom can enhance the metabolic stability and bioavailability of drug candidates. For instance, a study published in the Journal of Medicinal Chemistry highlighted the use of this compound as a key intermediate in the synthesis of a novel class of antiviral agents with improved efficacy against influenza viruses.

In addition to its pharmaceutical applications, Ethyl 3,6-dimethyl-2-fluorobenzoate has been investigated for its potential in materials science. The fluorinated aromatic ring can contribute to the formation of stable and robust materials with enhanced thermal and mechanical properties. A research group at the University of California, Berkeley, reported the use of this compound as a building block for the synthesis of high-performance polymers with applications in electronics and coatings.

The synthetic route for Ethyl 3,6-dimethyl-2-fluorobenzoate typically involves several steps, including the fluorination of an appropriate aromatic precursor followed by esterification with ethanol. The choice of reagents and reaction conditions is crucial for achieving high yields and purity. Recent advancements in green chemistry have led to the development of more environmentally friendly synthetic methods that minimize waste and reduce energy consumption.

The physical properties of Ethyl 3,6-dimethyl-2-fluorobenzoate, such as its melting point, boiling point, and solubility in various solvents, are important for its handling and storage. These properties have been well-characterized through experimental studies, providing valuable data for industrial applications. For example, its solubility in common organic solvents like dichloromethane and acetone makes it suitable for use in solution-based processes.

In terms of safety and environmental impact, Ethyl 3,6-dimethyl-2-fluorobenzoate is generally considered to be a low-risk compound when handled according to standard laboratory practices. However, it is important to follow appropriate safety guidelines to prevent exposure and ensure proper disposal. The compound should be stored in a cool, dry place away from incompatible materials.

The future prospects for Ethyl 3,6-dimethyl-2-fluorobenzoate are promising. Ongoing research is focused on expanding its applications in drug discovery, materials science, and other areas where its unique chemical properties can be leveraged. Collaborative efforts between academia and industry are expected to drive further innovation and development.

In conclusion, Ethyl 3,6-dimethyl-2-fluorobenzoate (CAS No. 1806352-00-0) is a versatile compound with a wide range of potential applications. Its unique chemical structure and properties make it an important molecule for both academic research and industrial use. As new synthetic methods and applications continue to emerge, this compound is likely to play an increasingly significant role in various scientific disciplines.

Recommended suppliers
Essenoi Fine Chemical Co., Limited
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shanghai Jinhuan Chemical CO., LTD.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Jinhuan Chemical CO., LTD.
Jinan Hanyu Chemical Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jinan Hanyu Chemical Co.,Ltd.
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk