Cas no 103038-43-3 (Ethyl 3-bromo-2-methylbenzoate)
Ethyl 3-bromo-2-methylbenzoate Chemical and Physical Properties
Names and Identifiers
-
- 3-bromo-2-methyl Benzoic acid ethyl ester
- 2-Thioxo-1,2,3,7-tetrahydro-6H-purin-6-one
- Benzoic acid, 3-broMo-2-Methyl-, ethyl ester
- ethyl 3-bromo-2-methylbenzoate
- 3-Bromo-2-methylbenzoic acid ethyl ester
- SY240035
- SCHEMBL265052
- DB-366072
- BS-50778
- CS-0112921
- AKOS014882718
- ETHYL3-BROMO-2-METHYLBENZOATE
- MFCD09751941
- 103038-43-3
- Ethyl 3-bromo-2-methylbenzoate
-
- MDL: MFCD09751941
- Inchi: 1S/C10H11BrO2/c1-3-13-10(12)8-5-4-6-9(11)7(8)2/h4-6H,3H2,1-2H3
- InChI Key: ISZDEZLLBGJTTF-UHFFFAOYSA-N
- SMILES: BrC1=CC=CC(C(=O)OCC)=C1C
Computed Properties
- Exact Mass: 241.99424g/mol
- Monoisotopic Mass: 241.99424g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 182
- 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: 26.3
- XLogP3: 3.2
Ethyl 3-bromo-2-methylbenzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM327897-25g |
ethyl 3-bromo-2-methylbenzoate |
103038-43-3 | 95+% | 25g |
$625 | 2021-06-10 | |
| TRC | E938223-10mg |
Ethyl 3-Bromo-2-methylbenzoate |
103038-43-3 | 10mg |
$ 50.00 | 2022-06-05 | ||
| TRC | E938223-50mg |
Ethyl 3-Bromo-2-methylbenzoate |
103038-43-3 | 50mg |
$ 135.00 | 2022-06-05 | ||
| TRC | E938223-100mg |
Ethyl 3-Bromo-2-methylbenzoate |
103038-43-3 | 100mg |
$ 230.00 | 2022-06-05 | ||
| Chemenu | CM327897-25g |
ethyl 3-bromo-2-methylbenzoate |
103038-43-3 | 95%+ | 25g |
$625 | 2022-06-14 | |
| eNovation Chemicals LLC | D778868-5g |
Ethyl 3-Bromo-2-methylbenzoate |
103038-43-3 | 95% | 5g |
$140 | 2023-09-03 | |
| 1PlusChem | 1P009KUH-250mg |
Benzoic acid, 3-broMo-2-Methyl-, ethyl ester |
103038-43-3 | 95% | 250mg |
$243.00 | 2023-12-26 | |
| 1PlusChem | 1P009KUH-1g |
Benzoic acid, 3-broMo-2-Methyl-, ethyl ester |
103038-43-3 | 95% | 1g |
$573.00 | 2023-12-26 | |
| Aaron | AR009L2T-100mg |
Benzoic acid, 3-broMo-2-Methyl-, ethyl ester |
103038-43-3 | 97% | 100mg |
$6.00 | 2025-02-11 | |
| Aaron | AR009L2T-250mg |
Benzoic acid, 3-broMo-2-Methyl-, ethyl ester |
103038-43-3 | 97% | 250mg |
$9.00 | 2025-02-11 |
Ethyl 3-bromo-2-methylbenzoate Related Literature
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1. Tautomerism, ionisation, and methylation of 2-(methylthio)- and 2,8-bis(methylthio)-hypoxanthinesUri Reichman,Felix Bergmann,Dov Lichtenberg J. Chem. Soc. Perkin Trans. 1 1973 2647
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Christos Gournas,Ioannis Papageorgiou,George Diallinas Mol. BioSyst. 2008 4 404
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A. I. Al-Mosawi,J. N. Miller,J. W. Bridges Analyst 1980 105 448
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P. D. Griffiths,J. D. Baty,Vincent Mark,J. N. Miller,Alan S. McLelland,J. M. Ottaway Proc. Anal. Div. Chem. Soc. 1979 16 50
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5. Electrophilic and nucleophilic substitution reactions of 8-pyridyl- and 8-(1-methylpyridino)-purinesF. Bergmann,M. Rashi J. Chem. Soc. C 1969 1831
Additional information on Ethyl 3-bromo-2-methylbenzoate
Ethyl 3-bromo-2-methylbenzoate (CAS No. 103038-43-3): A Comprehensive Overview
Ethyl 3-bromo-2-methylbenzoate, identified by its CAS number 103038-43-3, is a significant compound in the field of organic chemistry and pharmaceutical research. This compound belongs to the class of aromatic esters, characterized by its benzene ring substituted with a bromine atom at the third position and a methyl group at the second position, esterified with ethanol. Its unique structural features make it a valuable intermediate in synthetic chemistry and a potential candidate for various applications in medicinal chemistry.
The synthesis of Ethyl 3-bromo-2-methylbenzoate typically involves the bromination of methylbenzoate derivatives followed by esterification. This process highlights the compound's utility in constructing more complex molecular architectures. The presence of both bromine and methyl groups on the benzene ring enhances its reactivity, making it a versatile building block for further chemical transformations.
In recent years, Ethyl 3-bromo-2-methylbenzoate has garnered attention in the development of novel pharmaceutical agents. Its aromatic structure and substituents make it a promising candidate for exploring new therapeutic pathways. Researchers have been particularly interested in its potential applications in the synthesis of bioactive molecules, including those targeting neurological disorders and inflammatory conditions.
One of the most intriguing aspects of Ethyl 3-bromo-2-methylbenzoate is its role in the development of small-molecule inhibitors. Studies have demonstrated its efficacy in modulating enzyme activity, particularly those involved in metabolic pathways and signal transduction. For instance, derivatives of this compound have shown promise in inhibiting enzymes such as cyclooxygenase (COX) and lipoxygenase (LOX), which are key players in inflammation and pain management.
The pharmacological properties of Ethyl 3-bromo-2-methylbenzoate have been further explored through computational modeling and experimental validation. These studies have revealed that the compound exhibits favorable binding affinities to target proteins, suggesting its potential as a lead compound for drug development. Additionally, its structural features allow for modifications that can enhance its pharmacokinetic profile, making it an attractive candidate for further optimization.
Recent advancements in synthetic methodologies have enabled the efficient preparation of various derivatives of Ethyl 3-bromo-2-methylbenzoate. These derivatives have been investigated for their biological activity, with some showing remarkable efficacy in preclinical models. For example, certain analogs have demonstrated anti-inflammatory and analgesic properties, comparable to existing therapeutic agents. This underscores the compound's potential as a scaffold for developing novel drugs.
The versatility of Ethyl 3-bromo-2-methylbenzoate extends beyond pharmaceutical applications. It has also been utilized in materials science, particularly in the synthesis of organic semiconductors and liquid crystals. Its aromatic structure and functional groups make it an excellent candidate for designing molecules with specific electronic properties. These applications highlight the broad utility of this compound across multiple scientific disciplines.
In conclusion, Ethyl 3-bromo-2-methylbenzoate (CAS No. 103038-43-3) is a multifaceted compound with significant potential in pharmaceutical research and materials science. Its unique structural features and reactivity make it a valuable intermediate for synthesizing bioactive molecules and functional materials. As research continues to uncover new applications for this compound, its importance in advancing scientific knowledge is likely to grow.
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