Cas no 1806842-46-5 (Methyl 3,5-bis(trifluoromethyl)-2-methoxybenzoate)
Methyl 3,5-bis(trifluoromethyl)-2-methoxybenzoate is a fluorinated aromatic ester characterized by its trifluoromethyl and methoxy substituents, which impart unique electronic and steric properties. The presence of multiple trifluoromethyl groups enhances its lipophilicity and metabolic stability, making it valuable in pharmaceutical and agrochemical applications. The methoxy and ester functionalities provide reactive handles for further chemical modifications. This compound is particularly useful as an intermediate in the synthesis of complex molecules, where its electron-withdrawing groups can influence reactivity and selectivity. Its high purity and well-defined structure ensure consistency in research and industrial processes. Suitable for use in organofluorine chemistry, it offers versatility in drug discovery and material science applications.
1806842-46-5 structure
Product Name:Methyl 3,5-bis(trifluoromethyl)-2-methoxybenzoate
CAS No:1806842-46-5
MF:C11H8F6O3
MW:302.16984462738
CID:4954746
Update Time:2025-09-28
Methyl 3,5-bis(trifluoromethyl)-2-methoxybenzoate Chemical and Physical Properties
Names and Identifiers
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- Methyl 3,5-bis(trifluoromethyl)-2-methoxybenzoate
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- Inchi: 1S/C11H8F6O3/c1-19-8-6(9(18)20-2)3-5(10(12,13)14)4-7(8)11(15,16)17/h3-4H,1-2H3
- InChI Key: YBXPRNQGSWYBPX-UHFFFAOYSA-N
- SMILES: FC(C1C=C(C(F)(F)F)C=C(C(=O)OC)C=1OC)(F)F
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 351
- XLogP3: 3.5
- Topological Polar Surface Area: 35.5
Methyl 3,5-bis(trifluoromethyl)-2-methoxybenzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A015009035-1g |
Methyl 3,5-bis(trifluoromethyl)-2-methoxybenzoate |
1806842-46-5 | 97% | 1g |
1,564.50 USD | 2021-06-21 |
Methyl 3,5-bis(trifluoromethyl)-2-methoxybenzoate Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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