Supporting Information
| Supporting Information File 1: Additional linear correlation, main conformers from the Monte Carlo conformational search, Cartesian coordinates and energies of the conformers of agrochemicals I–VII and compounds 1–11 analyzed herein. | ||
| Format: PDF | Size: 740.7 KB | Download |
Cite the Following Article
Conformational preferences of fluorine-containing agrochemicals and their implications for lipophilicity prediction
Daniela Rodrigues Silva, Joyce K. Daré and Matheus P. Freitas
Beilstein J. Org. Chem. 2020, 16, 2469–2476.
https://doi.org/10.3762/bjoc.16.200
How to Cite
Silva, D. R.; Daré, J. K.; Freitas, M. P. Beilstein J. Org. Chem. 2020, 16, 2469–2476. doi:10.3762/bjoc.16.200
Download Citation
Citation data can be downloaded as file using the "Download" button or used for copy/paste from the text window
below.
Citation data in RIS format can be imported by all major citation management software, including EndNote,
ProCite, RefWorks, and Zotero.
Presentation Graphic
| Picture with graphical abstract, title and authors for social media postings and presentations. | ||
| Format: PNG | Size: 9.2 MB | Download |
Citations to This Article
Up to 20 of the most recent references are displayed here.
Scholarly Works
- Velcicky, J.; Langlois, J.-B.; Wright, M.; Janser, P.; Angst, D.; Arnold, C.; Beltz, K.; Brenneisen, S.; Dubois, C.; Dawson, J.; Fischer, C.; Gommermann, N.; Heizmann, A.; Ilic, S.; Machauer, R.; Maschlej, M.; Monnerat, S.; Pflieger, D.; Ristov, J.; Rubert, J.; Schwalm, G.; Smith, D. R.; Srinivas, H.; Steiner, R.; Stojanovic, A.; Troxler, T.; Unterreiner, A.; Vangrevelinghe, E.; von Burg, N.; Wunderlich, J.; Farady, C. J.; Mackay, A. Discovery of NP3-742: A Structurally Diverse NLRP3 Inhibitor Identified through an Unusual Phenol Replacement. Journal of medicinal chemistry 2025. doi:10.1021/acs.jmedchem.5c02412
- Qin, X.; Liu, C.; Yuan, W.; Li, H.; Sun, S.; Xu, T.; Yin, Z. Harnessing visible light for metal-free trifluoromethylation/cyclization of unactivated alkenes. Chemical communications (Cambridge, England) 2025, 61, 7676–7679. doi:10.1039/d5cc01822f
- Wu, Y.; Liu, H.; Huang, Y.; Lei, Y.; Chen, L.; Xi, B.; Jin, S.; Tang, D.; Zhou, H.; Cai, Y. 3D-QSAR-based molecular design and one-step dialysis self-assembled synthesis of amphiphilic-balance phenylpyrazole amide nano-micelles for enhancing bioactivity and degradation properties. Pesticide biochemistry and physiology 2025, 212, 106461. doi:10.1016/j.pestbp.2025.106461
- Ryan, P.; Iftikhar, R.; Hunter, L. Origami with small molecules: exploiting the C-F bond as a conformational tool. Beilstein journal of organic chemistry 2025, 21, 680–716. doi:10.3762/bjoc.21.54
- Li, T.; Jiang, Y.; Zhang, H.; He, J.; Chan, K. C.; Chan, Y. L.; Jian, W.; Ren, L. A novel electroless Ni-W-P composite plating with polytetrafluoroethylene co-deposition: Assessment of corrosion resistance and microhardness. Colloids and Surfaces A: Physicochemical and Engineering Aspects 2025, 710, 136206. doi:10.1016/j.colsurfa.2025.136206
- Mishra, M.; Jaiswal, A.; Mitra, M. D.; Tauseef, M.; Kumar, V.; Tewari, A. K.; Pandey, D.; Kumar, R. Deciphering the role of noncovalent interactions in the conformational preferences of Bis(3-Chlorobenzyl) imidazolium salt: Perspective for Cox-2 selective anti-inflammatory activity. Next Research 2025, 2, 100127. doi:10.1016/j.nexres.2024.100127
- Liu, Z.-E.; Lin, T.; Zhao, Y.; Cao, J. Pd-catalyzed C H (phenylsulfonyl)difluoromethylation of electron-rich heteroarenes. Tetrahedron Letters 2025, 158, 155486. doi:10.1016/j.tetlet.2025.155486
- 陈, 钰. Research Progress on Palladium-Catalyzed Difluoromethyl Arylation. Journal of Organic Chemistry Research 2025, 13, 21–34. doi:10.12677/jocr.2025.131003
- Liang, J.; Xu, Y.; Liu, H.; Zhou, Q.; Wu, Z.; Xi, B.; Chen, L.; Jin, S.; Tang, D. Design, sonic solvothermal synthesis, synergistically improved bioactivity and photo-self-degradability of sulfonyl phenylpyrazole two-site alkaloids fused amides and amine units as GABA receptor inhibitors. Industrial Crops and Products 2024, 222, 119507. doi:10.1016/j.indcrop.2024.119507
- Kartal, B.; Tanriverdi, A. A.; Yildiko, U.; Tekes, A. T.; Çakmak, I. Polyimide synthesis and characterizations: DFT-assisted computational studies on structural units. Iranian Polymer Journal 2024, 34, 977–999. doi:10.1007/s13726-024-01414-6
- Liu, Y.; Tian, Q.; Ge, J.; Wu, X.; Li, Z.; Cheng, G. Recent advances in the synthesis of trifluoromethyl-containing heterocyclic compounds via trifluoromethyl building blocks. Organic & biomolecular chemistry 2024, 22, 6246–6276. doi:10.1039/d4ob00877d
- Zhao, L.-X.; Chen, K.-Y.; Luo, K.; He, X.-L.; Gao, S.; Fu, Y.; Zou, Y.-L.; Ye, F. Design, Synthesis, and Biological Activity of Novel Phenyltriazolinone PPO Inhibitors Containing Five-Membered Heterocycles. Journal of agricultural and food chemistry 2024, 72, 5625–5635. doi:10.1021/acs.jafc.3c07411
- Deng, Z.; Wang, K.-H.; Lv, Y.; Ren, Y.; Zhou, Y.; Huang, D.; Wang, J.; Hu, Y. Trifluoromethyl N-acylhydrazones: A versatile trifluoromethyl building blocks for construction of trifluoromethylated nitrogen-containing compounds. Tetrahedron 2024, 154, 133870. doi:10.1016/j.tet.2024.133870
- Chen, L.; Wu, Y.; Liu, H.; Huang, Y.; Lei, Y.; Xi, B.; Jin, S.; Tang, D. 3d-Qsar-Based Molecular Design and One-Step Dialysis Self-Assembled Synthesis of Amphiphilic-Balance Phenylpyrazole Amide Nano-Micelles for Reducing the Toxicities, Enhancing Bioactivity and Natural Sunlight Degradation Properties. Elsevier BV 2024. doi:10.2139/ssrn.5021087
- Dou, H.; Hu, Y.; Gao, Y.; Sun, F. Design, synthesis and properties of trifluoromethyl polysiloxane oxetane monomers. European Polymer Journal 2023, 183, 111756. doi:10.1016/j.eurpolymj.2022.111756
- Pazenok, S.; Bernier, D.; Donnard, M.; Hanquet, G.; Panossian, A.; Leroux, F. R. doi:10.1002/9780470682531.pat1013
- Artem'eva, E. V.; Duffin, R. N.; Munuganti, S.; Efremov, A. N.; Andrews, P. C.; Sharutina, O. K.; Sharutin, V. V. Investigations into a change of aryl group on the cytotoxicity and anti-leishmanial activity of a series of tris-aryl Sb(V) pentafluoropropionates. Polyhedron 2022, 213, 115627. doi:10.1016/j.poly.2021.115627
- Saranya, P. V.; Aneeja, T.; Anilkumar, G. Palladium-catalyzed difluoromethylation and difluoroalkylation reactions: An overview. Applied Organometallic Chemistry 2021, 36. doi:10.1002/aoc.6503
- Martins, F. A.; Freitas, M. P. An examination of the relationship between molecular dipole moment and blood-gas partition for common anaesthetic gases. Organic & biomolecular chemistry 2021, 19, 6665–6670. doi:10.1039/d1ob01067k
- Richardson, P. G. Applications of fluorine to the construction of bioisosteric elements for the purposes of novel drug discovery. Expert opinion on drug discovery 2021, 16, 1261–1286. doi:10.1080/17460441.2021.1933427