Cas no 34060-79-2 (Methyl 2,6-bis(trifluoromethyl)benzoate)
Methyl 2,6-bis(trifluoromethyl)benzoate Chemical and Physical Properties
Names and Identifiers
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- Methyl 2,6-bis(trifluoromethyl)benzoate
- benzoic acid, 2,6-bis(trifluoromethyl)-, methyl ester
- LogP
- 34060-79-2
- methyl 2,6-bis-trifluoromethyl-benzoate
- SCHEMBL1994212
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- Inchi: 1S/C10H6F6O2/c1-18-8(17)7-5(9(11,12)13)3-2-4-6(7)10(14,15)16/h2-4H,1H3
- InChI Key: REVARYIIRMTKOD-UHFFFAOYSA-N
- SMILES: FC(C1C=CC=C(C(F)(F)F)C=1C(=O)OC)(F)F
Computed Properties
- Exact Mass: 272.02719840g/mol
- Monoisotopic Mass: 272.02719840g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 287
- 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: 3.6
- Topological Polar Surface Area: 26.3?2
Methyl 2,6-bis(trifluoromethyl)benzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A015008062-250mg |
Methyl 2,6-bis(trifluoromethyl)benzoate |
34060-79-2 | 97% | 250mg |
$480.00 | 2023-09-02 | |
| Alichem | A015008062-500mg |
Methyl 2,6-bis(trifluoromethyl)benzoate |
34060-79-2 | 97% | 500mg |
$855.75 | 2023-09-02 | |
| Alichem | A015008062-1g |
Methyl 2,6-bis(trifluoromethyl)benzoate |
34060-79-2 | 97% | 1g |
$1579.40 | 2023-09-02 |
Methyl 2,6-bis(trifluoromethyl)benzoate Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
Additional information on Methyl 2,6-bis(trifluoromethyl)benzoate
Methyl 2,6-bis(trifluoromethyl)benzoate (CAS No. 34060-79-2): A Versatile Intermediate in Modern Chemical Biology and Medicinal Chemistry
Methyl 2,6-bis(trifluoromethyl)benzoate, identified by its CAS number 34060-79-2, is a fluorinated aromatic ester that has garnered significant attention in the fields of chemical biology and medicinal chemistry due to its unique structural and electronic properties. The presence of multiple trifluoromethyl groups imparts exceptional stability, lipophilicity, and metabolic resistance, making it a valuable building block for the synthesis of complex molecules.
The< strong>trifluoromethyl group is a well-documented pharmacophore that enhances the bioavailability and binding affinity of drug candidates. In recent years, the incorporation of this moiety into pharmaceutical compounds has been extensively studied for its ability to modulate enzyme activity and receptor interactions. Methyl 2,6-bis(trifluoromethyl)benzoate serves as a precursor in the synthesis of various bioactive molecules, including kinase inhibitors, antiviral agents, and anti-inflammatory drugs.
One of the most compelling applications of Methyl 2,6-bis(trifluoromethyl)benzoate is in the development of next-generation agrochemicals. The< strong>bis(trifluoromethyl) substitution pattern enhances the herbicidal and pesticidal properties of compounds derived from this intermediate. Recent studies have demonstrated its utility in creating novel formulations that exhibit improved efficacy while minimizing environmental impact.
In the realm of material science, Methyl 2,6-bis(trifluoromethyl)benzoate has been employed as a monomer in the synthesis of high-performance polymers. These polymers exhibit exceptional thermal stability and chemical resistance, making them suitable for applications in aerospace, automotive, and electronics industries. The< strong>trifluoromethyl groups contribute to the overall robustness of the polymer matrix by reinforcing intermolecular interactions.
The pharmaceutical industry has also leveraged Methyl 2,6-bis(trifluoromethyl)benzoate in the design of protease inhibitors. Proteases play a crucial role in various biological pathways, and their inhibition is often key to developing therapeutic strategies against diseases such as cancer and HIV. The< strong>bis(trifluoromethyl) groups enhance the binding affinity of these inhibitors to their target enzymes, leading to more potent and selective drug candidates.
In conclusion, Methyl 2,6-bis(trifluoromethyl)benzoate (CAS No. 34060-79-2) is a multifaceted compound with broad applications across multiple disciplines. Its unique structural features make it an indispensable tool for synthetic chemists working on cutting-edge research projects. As our understanding of fluorinated compounds continues to evolve, it is likely that Methyl 2,6-bis(trifluoromethyl)benzoate will remain at the forefront of innovation in chemical biology and medicinal chemistry.
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