Cas no 61200-57-5 (2-(4,5-dibromothiophen-3-yl)-1,3-dioxolane)
2-(4,5-dibromothiophen-3-yl)-1,3-dioxolane Chemical and Physical Properties
Names and Identifiers
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- Thiophene, 2,3-dibromo-4-(1,3-dioxolan-2-yl)-
- 2-(4,5-dibromothiophen-3-yl)-1,3-dioxolane
- 61200-57-5
- DTXSID00484386
- EN300-26658752
-
- Inchi: 1S/C7H6Br2O2S/c8-5-4(3-12-6(5)9)7-10-1-2-11-7/h3,7H,1-2H2
- InChI Key: MDUPRBPKIMXHDS-UHFFFAOYSA-N
- SMILES: BrC1=C(SC=C1C1OCCO1)Br
Computed Properties
- Exact Mass: 311.84548
- Monoisotopic Mass: 311.84553g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 164
- 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: 46.7?2
Experimental Properties
- PSA: 18.46
2-(4,5-dibromothiophen-3-yl)-1,3-dioxolane Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-26658752-0.05g |
2-(4,5-dibromothiophen-3-yl)-1,3-dioxolane |
61200-57-5 | 0.05g |
$732.0 | 2023-09-12 | ||
| Enamine | EN300-26658752-0.1g |
2-(4,5-dibromothiophen-3-yl)-1,3-dioxolane |
61200-57-5 | 0.1g |
$767.0 | 2023-09-12 | ||
| Enamine | EN300-26658752-0.25g |
2-(4,5-dibromothiophen-3-yl)-1,3-dioxolane |
61200-57-5 | 0.25g |
$801.0 | 2023-09-12 | ||
| Enamine | EN300-26658752-0.5g |
2-(4,5-dibromothiophen-3-yl)-1,3-dioxolane |
61200-57-5 | 0.5g |
$836.0 | 2023-09-12 | ||
| Enamine | EN300-26658752-1.0g |
2-(4,5-dibromothiophen-3-yl)-1,3-dioxolane |
61200-57-5 | 1g |
$871.0 | 2023-06-02 | ||
| Enamine | EN300-26658752-2.5g |
2-(4,5-dibromothiophen-3-yl)-1,3-dioxolane |
61200-57-5 | 2.5g |
$1707.0 | 2023-09-12 | ||
| Enamine | EN300-26658752-5.0g |
2-(4,5-dibromothiophen-3-yl)-1,3-dioxolane |
61200-57-5 | 5g |
$2525.0 | 2023-06-02 | ||
| Enamine | EN300-26658752-10.0g |
2-(4,5-dibromothiophen-3-yl)-1,3-dioxolane |
61200-57-5 | 10g |
$3746.0 | 2023-06-02 | ||
| Enamine | EN300-26658752-1g |
2-(4,5-dibromothiophen-3-yl)-1,3-dioxolane |
61200-57-5 | 1g |
$871.0 | 2023-09-12 | ||
| Enamine | EN300-26658752-5g |
2-(4,5-dibromothiophen-3-yl)-1,3-dioxolane |
61200-57-5 | 5g |
$2525.0 | 2023-09-12 |
2-(4,5-dibromothiophen-3-yl)-1,3-dioxolane Related Literature
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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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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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
Additional information on 2-(4,5-dibromothiophen-3-yl)-1,3-dioxolane
Introduction to 2-(4,5-dibromothiophen-3-yl)-1,3-dioxolane (CAS No: 61200-57-5)
2-(4,5-dibromothiophen-3-yl)-1,3-dioxolane is a significant compound in the realm of organic synthesis and pharmaceutical research, characterized by its unique structural and chemical properties. This compound, identified by the CAS number 61200-57-5, has garnered considerable attention due to its potential applications in the development of novel therapeutic agents and materials. The presence of both bromine substituents and a dioxolane ring in its molecular structure imparts distinct reactivity and functionality, making it a valuable intermediate in synthetic chemistry.
The compound's structure consists of a thiophene core substituted with bromine atoms at the 4 and 5 positions, further modified by a dioxolane ring at the 3-position. This arrangement creates a versatile platform for further chemical modifications, enabling the synthesis of more complex molecules. The dioxolane ring, in particular, is known for its stability and ability to participate in various organic reactions, including nucleophilic substitution and ring-opening reactions, which are crucial for drug discovery processes.
In recent years, there has been growing interest in thiophene derivatives due to their wide range of biological activities. Studies have shown that compounds containing thiophene moieties exhibit properties such as antimicrobial, anti-inflammatory, and anticancer effects. The introduction of bromine atoms into the thiophene ring enhances these properties by increasing lipophilicity and improving metabolic stability. These characteristics make 2-(4,5-dibromothiophen-3-yl)-1,3-dioxolane an attractive candidate for further investigation in medicinal chemistry.
One of the most compelling aspects of this compound is its potential role in the synthesis of small-molecule inhibitors targeting specific biological pathways. For instance, researchers have explored its utility in developing kinase inhibitors, which are crucial for treating various cancers and inflammatory diseases. The brominated thiophene core provides a scaffold that can be modified to interact with enzyme active sites, while the dioxolane ring offers a handle for further functionalization through chemical transformations.
Recent advancements in computational chemistry have also highlighted the importance of 2-(4,5-dibromothiophen-3-yl)-1,3-dioxolane in drug design. Molecular modeling studies have demonstrated that this compound can effectively bind to protein targets by forming hydrogen bonds and hydrophobic interactions. These interactions are essential for achieving high affinity and selectivity in drug candidates. Moreover, the compound's ability to undergo various chemical modifications allows researchers to fine-tune its properties for optimal biological activity.
The synthesis of 2-(4,5-dibromothiophen-3-yl)-1,3-dioxolane involves multi-step organic reactions that require careful optimization to ensure high yield and purity. Common synthetic routes include bromination of thiophene derivatives followed by dioxolane formation through ring-closing metathesis or condensation reactions. These processes highlight the compound's versatility as a building block in synthetic chemistry.
Another area where this compound has shown promise is in the development of advanced materials. Thiophene-based polymers are known for their excellent electrical conductivity and mechanical strength, making them suitable for applications in organic electronics. The incorporation of bromine atoms into these polymers can enhance their stability and processability under various conditions. Additionally, the dioxolane ring can serve as a cross-linking agent to improve material durability.
The pharmaceutical industry has also been exploring the use of 2-(4,5-dibromothiophen-3-yl)-1,3-dioxolane as a precursor for more complex drug candidates. By leveraging its unique structural features, researchers can design molecules with enhanced pharmacokinetic properties such as improved solubility and bioavailability. These attributes are critical for ensuring that drugs are effectively absorbed and utilized by the body.
In conclusion, 2-(4,5-dibromothiophen-3-yl)-1,3-dioxolane (CAS No: 61200-57-5) is a multifaceted compound with significant potential in both medicinal chemistry and materials science. Its structural features enable diverse applications ranging from drug development to advanced material design. As research continues to uncover new ways to utilize this compound, its importance in scientific innovation is likely to grow even further.
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