Cas no 1203953-08-5 (Dimethyl 2-fluoro-5-methylterephthalate)

Dimethyl 2-fluoro-5-methylterephthalate is a fluorinated aromatic ester with applications in organic synthesis and pharmaceutical intermediates. Its key advantages include high purity and stability, making it suitable for precise chemical transformations. The fluorine substituent enhances reactivity in electrophilic aromatic substitution, while the methyl group offers steric control in coupling reactions. This compound serves as a versatile building block for advanced materials and bioactive molecules. Its ester groups provide functional handles for further derivatization, enabling tailored modifications. The product is typically supplied with rigorous quality control to ensure consistency in research and industrial processes. Storage under inert conditions is recommended to maintain integrity.
Dimethyl 2-fluoro-5-methylterephthalate structure
1203953-08-5 structure
Product Name:Dimethyl 2-fluoro-5-methylterephthalate
CAS No:1203953-08-5
MF:C11H11FO4
MW:226.201047182083
MDL:MFCD22056780
CID:2853859
PubChem ID:56965483
Update Time:2025-05-21

Dimethyl 2-fluoro-5-methylterephthalate Chemical and Physical Properties

Names and Identifiers

    • Dimethyl 2-fluoro-5-methylterephthalate
    • 1,4-Benzenedicarboxylic acid, 2-fluoro-5-methyl-, 1,4-dimethyl ester
    • MDL: MFCD22056780
    • Inchi: 1S/C11H11FO4/c1-6-4-8(11(14)16-3)9(12)5-7(6)10(13)15-2/h4-5H,1-3H3
    • InChI Key: VLWQVKMFPSUFIR-UHFFFAOYSA-N
    • SMILES: C1(C(OC)=O)=CC(C)=C(C(OC)=O)C=C1F

Computed Properties

  • Exact Mass: 226.06413699g/mol
  • Monoisotopic Mass: 226.06413699g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 279
  • 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: 52.6?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 314.3±42.0 °C at 760 mmHg
  • Flash Point: 139.3±22.8 °C
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

Dimethyl 2-fluoro-5-methylterephthalate Security Information

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Additional information on Dimethyl 2-fluoro-5-methylterephthalate

Dimethyl 2-fluoro-5-methylterephthalate (CAS No. 1203953-08-5): A Comprehensive Overview

Dimethyl 2-fluoro-5-methylterephthalate is a highly specialized organic compound with the CAS registry number 1203953-08-5. This compound belongs to the family of fluorinated terephthalic acid derivatives, which have gained significant attention in recent years due to their unique chemical properties and versatile applications in various industries. The molecular structure of Dimethyl 2-fluoro-5-methylterephthalate consists of a terephthalic acid backbone with a methyl group at the 5-position and a fluorine atom at the 2-position, both of which contribute to its distinctive reactivity and functionality.

Recent advancements in synthetic chemistry have enabled the precise synthesis of Dimethyl 2-fluoro-5-methylterephthalate, leveraging cutting-edge methodologies such as Friedel-Crafts acylation and subsequent esterification processes. These techniques not only enhance the purity of the compound but also allow for better control over its stereochemistry, which is crucial for its application in advanced materials and pharmaceuticals.

The physical properties of Dimethyl 2-fluoro-5-methylterephthalate are highly dependent on its molecular structure. It exhibits a high melting point, making it suitable for use in high-performance materials such as thermoplastics and engineering plastics. Additionally, its chemical stability under various environmental conditions has been extensively studied, with recent research highlighting its resistance to UV degradation and oxidative stress, further broadening its applicability.

In terms of applications, Dimethyl 2-fluoro-5-methylterephthalate has found significant use in the electronics industry as a precursor for high-performance polymers and dielectric materials. Its ability to form stable polyesters with exceptional thermal and electrical properties makes it an ideal candidate for advanced electronic packaging and insulation materials. Furthermore, recent studies have explored its potential as a building block for optoelectronic materials, where its fluorine-containing structure contributes to enhanced light-emitting properties.

The pharmaceutical industry has also benefited from the unique properties of Dimethyl 2-fluoro-5-methylterephthalate. Researchers have investigated its role as an intermediate in drug synthesis, particularly in the development of antiviral agents and anticancer drugs. The compound's ability to undergo various functional group transformations facilitates its integration into complex molecular frameworks, making it a valuable asset in medicinal chemistry.

From an environmental perspective, the synthesis and application of Dimethyl 2-fluoro-5-methylterephthalate have been optimized to minimize ecological impact. Recent green chemistry approaches have focused on reducing waste generation during its production while enhancing energy efficiency, aligning with global sustainability goals.

In conclusion, Dimethyl 2-fluoro-5-methylterephthalate (CAS No. 1203953-08-5) stands as a testament to the ingenuity of modern chemical synthesis and its wide-ranging applications across multiple sectors. As research continues to uncover new potential uses for this compound, it is poised to play an even more significant role in shaping future technological advancements.

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