Cas no 1806051-19-3 (Methyl 2,4-bis(trifluoromethyl)-3-methylbenzoate)

Methyl 2,4-bis(trifluoromethyl)-3-methylbenzoate is a fluorinated aromatic ester with a highly substituted benzene core, featuring two trifluoromethyl groups and a methyl group at adjacent positions. This structure imparts significant electron-withdrawing properties, making it a valuable intermediate in organic synthesis, particularly for pharmaceuticals and agrochemicals. The trifluoromethyl groups enhance metabolic stability and lipophilicity, which can improve bioavailability in active compounds. The ester functionality allows for further derivatization, enabling versatile applications in cross-coupling reactions or hydrolysis to carboxylic acids. Its robust stability under various reaction conditions makes it suitable for demanding synthetic processes. The compound is typically handled under inert conditions due to its sensitivity to moisture.
Methyl 2,4-bis(trifluoromethyl)-3-methylbenzoate structure
1806051-19-3 structure
Product Name:Methyl 2,4-bis(trifluoromethyl)-3-methylbenzoate
CAS No:1806051-19-3
MF:C11H8F6O2
MW:286.170444488525
CID:4954712
Update Time:2025-06-11

Methyl 2,4-bis(trifluoromethyl)-3-methylbenzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2,4-bis(trifluoromethyl)-3-methylbenzoate
    • Inchi: 1S/C11H8F6O2/c1-5-7(10(12,13)14)4-3-6(9(18)19-2)8(5)11(15,16)17/h3-4H,1-2H3
    • InChI Key: CRJMZDZSYMZHOQ-UHFFFAOYSA-N
    • SMILES: FC(C1C(C(=O)OC)=CC=C(C(F)(F)F)C=1C)(F)F

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 335
  • XLogP3: 3.9
  • Topological Polar Surface Area: 26.3

Methyl 2,4-bis(trifluoromethyl)-3-methylbenzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A015009090-1g
Methyl 2,4-bis(trifluoromethyl)-3-methylbenzoate
1806051-19-3 97%
1g
1,490.00 USD 2021-06-21

Additional information on Methyl 2,4-bis(trifluoromethyl)-3-methylbenzoate

Comprehensive Overview of Methyl 2,4-bis(trifluoromethyl)-3-methylbenzoate (CAS No. 1806051-19-3)

Methyl 2,4-bis(trifluoromethyl)-3-methylbenzoate (CAS No. 1806051-19-3) is a highly specialized organic compound that has garnered significant attention in the fields of pharmaceuticals, agrochemicals, and advanced material science. This ester derivative, characterized by its unique trifluoromethyl groups, offers exceptional chemical stability and reactivity, making it a valuable intermediate in synthetic chemistry. Researchers and industry professionals are increasingly exploring its potential applications due to its ability to enhance the performance of various formulations.

The compound's molecular structure, featuring trifluoromethyl groups at the 2 and 4 positions and a methyl ester at the 1 position, contributes to its distinct physicochemical properties. These attributes include high lipophilicity, resistance to metabolic degradation, and improved bioavailability, which are critical factors in drug design and development. As the demand for fluorinated compounds rises, Methyl 2,4-bis(trifluoromethyl)-3-methylbenzoate stands out as a key player in the synthesis of next-generation therapeutics and specialty chemicals.

In recent years, the scientific community has focused on the role of fluorinated aromatic compounds in addressing global challenges such as antimicrobial resistance and sustainable agriculture. Methyl 2,4-bis(trifluoromethyl)-3-methylbenzoate has been investigated for its potential in creating novel agrochemicals with reduced environmental impact. Its ability to act as a building block for crop protection agents aligns with the growing emphasis on eco-friendly pest control solutions.

Another area of interest is the compound's utility in material science, particularly in the development of high-performance polymers and coatings. The incorporation of trifluoromethyl groups enhances thermal stability and chemical resistance, making it ideal for applications in extreme environments. Industries such as aerospace, automotive, and electronics are exploring its use to improve the durability and functionality of advanced materials.

From a synthetic perspective, Methyl 2,4-bis(trifluoromethyl)-3-methylbenzoate is often prepared through multi-step organic reactions, including esterification and electrophilic aromatic substitution. Its synthesis requires precise control of reaction conditions to achieve high yields and purity, which is essential for industrial-scale production. The compound's CAS No. 1806051-19-3 serves as a unique identifier, facilitating accurate referencing in scientific literature and regulatory documentation.

As the pharmaceutical industry continues to explore targeted drug delivery systems, Methyl 2,4-bis(trifluoromethyl)-3-methylbenzoate has emerged as a promising candidate for prodrug design. Its ability to modulate solubility and permeability properties makes it a valuable tool for improving the efficacy of active pharmaceutical ingredients (APIs). This aligns with the broader trend of personalized medicine, where tailored drug formulations are developed to meet individual patient needs.

In conclusion, Methyl 2,4-bis(trifluoromethyl)-3-methylbenzoate (CAS No. 1806051-19-3) represents a versatile and innovative compound with wide-ranging applications. Its unique chemical profile positions it at the forefront of research in pharmaceuticals, agrochemicals, and material science. As scientific advancements continue to unfold, this compound is poised to play a pivotal role in shaping the future of these industries.

Recommended suppliers
Inner Mongolia Xinhong Biological Technology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Inner Mongolia Xinhong Biological Technology Co., Ltd
Zhangzhou Sinobioway Peptide Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Zhangzhou Sinobioway Peptide Co.,Ltd.
Nanjing jingzhu bio-technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nanjing jingzhu bio-technology Co., Ltd.
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Suzhou Senfeida Chemical Co., Ltd
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jinta Yudi Pharmaceutical Technology Co., Ltd.