Cas no 1380390-17-9 (Methyl 2-(6-hydroxy-7-methylbenzofuran-3-yl)acetate)
Methyl 2-(6-hydroxy-7-methylbenzofuran-3-yl)acetate Chemical and Physical Properties
Names and Identifiers
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- Methyl 2-(6-hydroxy-7-methylbenzofuran-3-yl)acetate
- methyl 2-(6-hydroxy-7-methyl-1-benzofuran-3-yl)acetate
- (6-hydroxy-7-methyl-benzofuran-3-yl)-acetic acid methyl ester
- Methyl(6-hydroxy-7-methyl-1-benzofuran-3-yl)acetate
- SCHEMBL9278350
- Methyl2-(6-hydroxy-7-methylbenzofuran-3-yl)acetate
- 1380390-17-9
- UNSPIPPTCOCUSO-UHFFFAOYSA-N
-
- Inchi: 1S/C12H12O4/c1-7-10(13)4-3-9-8(5-11(14)15-2)6-16-12(7)9/h3-4,6,13H,5H2,1-2H3
- InChI Key: UNSPIPPTCOCUSO-UHFFFAOYSA-N
- SMILES: O1C=C(CC(=O)OC)C2C=CC(=C(C)C1=2)O
Computed Properties
- Exact Mass: 220.074
- Monoisotopic Mass: 220.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 266
- 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
- Topological Polar Surface Area: 59.7A^2
- XLogP3: 2.1
Methyl 2-(6-hydroxy-7-methylbenzofuran-3-yl)acetate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM152765-1g |
methyl 2-(6-hydroxy-7-methylbenzofuran-3-yl)acetate |
1380390-17-9 | 95% | 1g |
$830 | 2021-06-09 | |
| Alichem | A019098407-1g |
Methyl 2-(6-hydroxy-7-methylbenzofuran-3-yl)acetate |
1380390-17-9 | 95% | 1g |
714.00 USD | 2021-06-17 | |
| Chemenu | CM152765-1g |
methyl 2-(6-hydroxy-7-methylbenzofuran-3-yl)acetate |
1380390-17-9 | 95% | 1g |
$*** | 2023-03-31 |
Methyl 2-(6-hydroxy-7-methylbenzofuran-3-yl)acetate Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
Additional information on Methyl 2-(6-hydroxy-7-methylbenzofuran-3-yl)acetate
Methyl 2-(6-hydroxy-7-methylbenzofuran-3-yl)acetate (CAS 1380390-17-9): A Comprehensive Overview
Methyl 2-(6-hydroxy-7-methylbenzofuran-3-yl)acetate, with the CAS number 1380390-17-9, is a specialized organic compound that has garnered significant interest in the fields of medicinal chemistry and material science. This compound belongs to the benzofuran family, a class of heterocyclic compounds known for their diverse biological activities and applications in pharmaceuticals and agrochemicals. The presence of both hydroxy and methyl functional groups in its structure makes it a versatile intermediate for further chemical modifications.
The compound's unique structure, featuring a benzofuran core substituted with a hydroxy group at the 6-position and a methyl group at the 7-position, contributes to its potential as a building block for more complex molecules. Researchers are particularly interested in its role as a precursor for synthesizing bioactive compounds, including potential antioxidants and anti-inflammatory agents. The ester functionality in the molecule also offers opportunities for further derivatization, making it a valuable tool in synthetic chemistry.
In recent years, the demand for Methyl 2-(6-hydroxy-7-methylbenzofuran-3-yl)acetate has increased due to its relevance in drug discovery programs. The benzofuran scaffold is widely recognized for its pharmacological properties, and modifications to this core structure can lead to compounds with enhanced bioactivity. For instance, derivatives of this compound have been explored for their potential in treating neurodegenerative diseases, a hot topic in current medical research. The compound's ability to interact with biological targets makes it a promising candidate for further investigation.
From a synthetic perspective, Methyl 2-(6-hydroxy-7-methylbenzofuran-3-yl)acetate can be prepared through various routes, including Pd-catalyzed coupling reactions and cyclization strategies. These methods are often optimized for high yield and purity, ensuring the compound meets the stringent requirements of pharmaceutical applications. The growing interest in green chemistry has also spurred research into more sustainable synthesis pathways for this and related compounds.
The compound's physicochemical properties, such as its solubility, melting point, and stability, are critical for its handling and application. These characteristics are often studied in detail to ensure optimal performance in various experimental settings. For example, its hydroxy group contributes to its solubility in polar solvents, while the methyl group can influence its lipophilicity, an important factor in drug design.
In the context of material science, Methyl 2-(6-hydroxy-7-methylbenzofuran-3-yl)acetate has shown potential as a building block for organic electronic materials. The benzofuran moiety is known for its electron-rich properties, which can be harnessed in the development of organic semiconductors and light-emitting diodes (OLEDs). This application aligns with the current trend toward sustainable and energy-efficient technologies.
The market for Methyl 2-(6-hydroxy-7-methylbenzofuran-3-yl)acetate is expected to grow as its applications expand. Pharmaceutical companies and research institutions are increasingly sourcing high-quality batches of this compound for their projects. Suppliers are responding by improving production processes and ensuring consistent quality, which is essential for reproducibility in scientific studies.
For researchers working with Methyl 2-(6-hydroxy-7-methylbenzofuran-3-yl)acetate, proper storage and handling are crucial. The compound should be kept in a cool, dry place, away from light and moisture, to maintain its stability over time. Safety data sheets (SDS) provide detailed guidelines for its safe use in laboratory settings.
In summary, Methyl 2-(6-hydroxy-7-methylbenzofuran-3-yl)acetate (CAS 1380390-17-9) is a multifaceted compound with significant potential in both pharmaceutical and material science applications. Its unique structural features and versatility make it a valuable asset for researchers exploring new bioactive molecules and advanced materials. As scientific interest in benzofuran derivatives continues to rise, this compound is poised to play an increasingly important role in innovative research and development.
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