Cas no 36901-17-4 (1-(4-bromo-5-methylthiophen-2-yl)ethan-1-one)
1-(4-bromo-5-methylthiophen-2-yl)ethan-1-one Chemical and Physical Properties
Names and Identifiers
-
- 1-(4-Bromo-5-methyl-thiophen-2-yl)-ethanone
- 1-(4-bromo-5-methylthiophen-2-yl)ethanone
- 1-(4-bromo-5-methylthiophen-2-yl)ethan-1-one
- DB-336740
- EN300-1913377
- STL444368
- E92751
- AKOS022188926
- NFSSDAHKODWNNL-UHFFFAOYSA-N
- 4-bromo-5-methyl-2-acetylthiophene
- SCHEMBL12472222
- 36901-17-4
- MFCD24038734
-
- Inchi: 1S/C7H7BrOS/c1-4(9)7-3-6(8)5(2)10-7/h3H,1-2H3
- InChI Key: NFSSDAHKODWNNL-UHFFFAOYSA-N
- SMILES: BrC1C=C(C(C)=O)SC=1C
Computed Properties
- Exact Mass: 217.94010g/mol
- Monoisotopic Mass: 217.94010g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 149
- 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
- XLogP3: 2.7
- Topological Polar Surface Area: 45.3?2
1-(4-bromo-5-methylthiophen-2-yl)ethan-1-one Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A169003556-1g |
1-(4-Bromo-5-methyl-thiophen-2-yl)-ethanone |
36901-17-4 | 95% | 1g |
$378.00 | 2023-09-02 | |
| Chemenu | CM199332-1g |
1-(4-bromo-5-methylthiophen-2-yl)ethan-1-one |
36901-17-4 | 95% | 1g |
$405 | 2021-08-05 | |
| Chemenu | CM199332-1g |
1-(4-bromo-5-methylthiophen-2-yl)ethan-1-one |
36901-17-4 | 95% | 1g |
$405 | 2023-01-19 | |
| Enamine | EN300-1913377-1g |
1-(4-bromo-5-methylthiophen-2-yl)ethan-1-one |
36901-17-4 | 1g |
$699.0 | 2023-09-17 | ||
| Enamine | EN300-1913377-5g |
1-(4-bromo-5-methylthiophen-2-yl)ethan-1-one |
36901-17-4 | 5g |
$2028.0 | 2023-09-17 | ||
| Enamine | EN300-1913377-10g |
1-(4-bromo-5-methylthiophen-2-yl)ethan-1-one |
36901-17-4 | 10g |
$3007.0 | 2023-09-17 | ||
| Enamine | EN300-1913377-0.05g |
1-(4-bromo-5-methylthiophen-2-yl)ethan-1-one |
36901-17-4 | 0.05g |
$587.0 | 2023-09-17 | ||
| Enamine | EN300-1913377-0.1g |
1-(4-bromo-5-methylthiophen-2-yl)ethan-1-one |
36901-17-4 | 0.1g |
$615.0 | 2023-09-17 | ||
| Enamine | EN300-1913377-0.25g |
1-(4-bromo-5-methylthiophen-2-yl)ethan-1-one |
36901-17-4 | 0.25g |
$642.0 | 2023-09-17 | ||
| Enamine | EN300-1913377-0.5g |
1-(4-bromo-5-methylthiophen-2-yl)ethan-1-one |
36901-17-4 | 0.5g |
$671.0 | 2023-09-17 |
1-(4-bromo-5-methylthiophen-2-yl)ethan-1-one Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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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
Additional information on 1-(4-bromo-5-methylthiophen-2-yl)ethan-1-one
Chemical Profile of 1-(4-bromo-5-methylthiophen-2-yl)ethan-1-one (CAS No. 36901-17-4)
1-(4-bromo-5-methylthiophen-2-yl)ethan-1-one, identified by its CAS number 36901-17-4, is a significant compound in the realm of organic chemistry and pharmaceutical research. This molecule, featuring a thiophene core substituted with bromine and methyl groups, has garnered attention due to its versatile applications in synthetic chemistry and potential roles in drug development. The structural attributes of this compound, particularly the presence of a reactive ketone group and a thiophene ring, make it a valuable intermediate in the synthesis of more complex molecules.
The thiophene scaffold is a prominent heterocyclic structure widely studied for its pharmacological properties. Compounds containing thiophene moieties are frequently encountered in medicinal chemistry due to their ability to interact with biological targets in unique ways. The introduction of substituents such as bromine and methyl groups at specific positions on the thiophene ring can modulate the electronic properties and reactivity of the molecule, enhancing its utility in various chemical transformations.
The ketone group in 1-(4-bromo-5-methylthiophen-2-yl)ethan-1-one serves as a crucial functional handle for further derivatization. This feature allows chemists to engage in a wide array of reactions, including condensation reactions, nucleophilic additions, and oxidation processes, which are pivotal in constructing more intricate molecular architectures. The bromine atom at the 4-position of the thiophene ring further enhances the reactivity, making it susceptible to cross-coupling reactions such as Suzuki-Miyaura and Buchwald-Hartwig couplings. These reactions are fundamental in constructing carbon-carbon bonds and are widely employed in the synthesis of natural products and bioactive molecules.
Recent advancements in pharmaceutical research have highlighted the importance of 1-(4-bromo-5-methylthiophen-2-yl)ethan-1-one as a building block for drug candidates. The structural motif present in this compound has been explored in the development of therapeutic agents targeting various diseases, including cancer, infectious diseases, and neurological disorders. The ability to modify the thiophene ring with different substituents provides a platform for generating libraries of compounds that can be screened for biological activity. Such libraries are instrumental in high-throughput screening (HTS) campaigns aimed at identifying lead compounds with desirable pharmacological properties.
In particular, the combination of bromine and methyl groups on the thiophene ring has been found to enhance binding affinity towards certain protein targets. This observation has spurred interest in developing derivatives of 1-(4-bromo-5-methylthiophen-2-yl)ethan-1-one that can serve as inhibitors or modulators of key enzymes involved in disease pathways. For instance, studies have shown that thiophene-based compounds can interact with enzymes such as kinases and proteases, which are often dysregulated in cancer cells. By fine-tuning the substituents on the thiophene ring, researchers aim to develop more selective and potent inhibitors.
The synthetic utility of 1-(4-bromo-5-methylthiophen-2-yl)ethan-1-one extends beyond pharmaceutical applications. It serves as a versatile intermediate in materials science, particularly in the synthesis of organic semiconductors and conductive polymers. The conjugated system inherent to the thiophene ring contributes to electron delocalization, which is beneficial for applications requiring electrical conductivity or optical properties. Researchers have leveraged this compound to develop novel materials with potential uses in organic electronics, photovoltaics, and sensors.
Recent research has also explored the role of 1-(4-bromo-5-methylthiophen-2-yl)ethan-1-one in catalysis. The presence of both a ketone group and a bromine substituent makes it an attractive candidate for use as a ligand or catalyst precursor in various organic transformations. For example, it has been employed in transition metal-catalyzed reactions where its steric and electronic properties influence reaction outcomes. Such studies contribute to our understanding of how molecular structure dictates reactivity, which is essential for designing efficient synthetic routes.
The biodegradability and environmental impact of 1-(4-bromo-5-methylthiophen-2-yl)ethan-1-one are also areas of interest. As synthetic chemistry progresses towards greener methodologies, there is an increasing emphasis on developing compounds that are environmentally benign. Investigations into the degradation pathways of this molecule have provided insights into its potential ecological footprint. These studies help guide chemists toward designing molecules that minimize environmental impact while maintaining high efficacy.
In conclusion,1-(4-bromo-5-methylthiophen-2-ylenthanone (CAS No 36901 17 4) stands as a multifaceted compound with broad applications across multiple disciplines including pharmaceuticals materials science and catalysis Its unique structural features make it an invaluable tool for synthetic chemists enabling access to complex molecules with tailored properties Further research into its derivatives and reaction pathways promises to uncover even more innovative uses for this remarkable chemical
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