Cas no 1024605-95-5 (Methyl 2-hydroxy-6-(trifluoromethyl)benzoate)
Methyl 2-hydroxy-6-(trifluoromethyl)benzoate Chemical and Physical Properties
Names and Identifiers
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- methyl 2-hydroxy-6-(trifluoromethyl)benzoate
- 2-hydroxy-6-trifluoromethylbenzoic acid methyl ester
- Methyl 2-hydroxy-6-(trifluoromethyl)benzoate
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- Inchi: 1S/C9H7F3O3/c1-15-8(14)7-5(9(10,11)12)3-2-4-6(7)13/h2-4,13H,1H3
- InChI Key: GZORLGIQLIGJHI-UHFFFAOYSA-N
- SMILES: FC(C1C=CC=C(C=1C(=O)OC)O)(F)F
Computed Properties
- Exact Mass: 220.034729g/mol
- Monoisotopic Mass: 220.034729g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 239
- 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
- Molecular Weight: 220.14g/mol
- XLogP3: 2.9
- Topological Polar Surface Area: 46.5
Methyl 2-hydroxy-6-(trifluoromethyl)benzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A014003634-250mg |
Methyl 2-hydroxy-6-(trifluoromethyl)benzoate |
1024605-95-5 | 97% | 250mg |
$475.20 | 2023-09-04 | |
| Alichem | A014003634-500mg |
Methyl 2-hydroxy-6-(trifluoromethyl)benzoate |
1024605-95-5 | 97% | 500mg |
$815.00 | 2023-09-04 | |
| Alichem | A014003634-1g |
Methyl 2-hydroxy-6-(trifluoromethyl)benzoate |
1024605-95-5 | 97% | 1g |
$1534.70 | 2023-09-04 |
Methyl 2-hydroxy-6-(trifluoromethyl)benzoate Related Literature
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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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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
Additional information on Methyl 2-hydroxy-6-(trifluoromethyl)benzoate
Methyl 2-hydroxy-6-(trifluoromethyl)benzoate (CAS No. 1024605-95-5): A Comprehensive Overview
Methyl 2-hydroxy-6-(trifluoromethyl)benzoate, identified by the CAS number 1024605-95-5, is a compound of significant interest in various fields, including pharmaceuticals, agrochemicals, and materials science. This compound is characterized by its unique structure, which includes a benzoate backbone substituted with a hydroxyl group at the 2-position and a trifluoromethyl group at the 6-position. The trifluoromethyl group imparts distinctive electronic and steric properties, making this compound a valuable building block in organic synthesis.
The synthesis of Methyl 2-hydroxy-6-(trifluoromethyl)benzoate typically involves multi-step processes, often starting from aromatic precursors. Recent advancements in catalytic methods have enabled more efficient and selective syntheses, reducing production costs and environmental impact. For instance, the use of palladium-catalyzed cross-coupling reactions has been reported to facilitate the introduction of the trifluoromethyl group with high precision.
In terms of applications, Methyl 2-hydroxy-6-(trifluoromethyl)benzoate has shown promise in drug discovery programs targeting various diseases. Its hydroxyl group provides opportunities for bioisosteric replacements, while the trifluoromethyl group enhances lipophilicity and metabolic stability—key attributes for drug candidates. Recent studies have highlighted its potential as a lead compound in anti-inflammatory and anticancer drug development.
The physical and chemical properties of Methyl 2-hydroxy-6-(trifluoromethyl)benzoate are well-documented. Its melting point is approximately 110°C, and it exhibits moderate solubility in common organic solvents such as dichloromethane and ethyl acetate. The presence of electron-withdrawing groups like the trifluoromethyl group significantly influences its reactivity in various chemical transformations.
From an environmental perspective, the degradation pathways of Methyl 2-hydroxy-6-(trifluoromethyl)benzoate have been studied to assess its ecological impact. Research indicates that under aerobic conditions, the compound undergoes microbial degradation, albeit at a slower rate compared to simpler aromatic compounds. This information is crucial for risk assessment and sustainable chemical management practices.
In conclusion, Methyl 2-hydroxy-6-(trifluoromethyl)benzoate (CAS No. 1024605-95-5) stands out as a versatile compound with diverse applications across multiple disciplines. Its unique structure, coupled with recent advancements in synthesis and application techniques, positions it as a key player in modern chemical research and development.
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