Cas no 3622-45-5 (2-bromo-7-methoxy-1,3-benzothiazole)
2-bromo-7-methoxy-1,3-benzothiazole Chemical and Physical Properties
Names and Identifiers
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- 2-Bromo-7-methoxy-1,3-benzothiazole
- Benzothiazole, 2-bromo-7-methoxy-
- 3622-45-5
- 2-Bromo-7-methoxy-benzothiazole
- CS-0451671
- 2-Bromo-7-methoxybenzo[d]thiazole
- 2-bromo-7-methoxy-1,3-benzothiazole
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- Inchi: 1S/C8H6BrNOS/c1-11-6-4-2-3-5-7(6)12-8(9)10-5/h2-4H,1H3
- InChI Key: HHUCBWVENAVOOM-UHFFFAOYSA-N
- SMILES: BrC1=NC2C=CC=C(C=2S1)OC
Computed Properties
- Exact Mass: 242.93535g/mol
- Monoisotopic Mass: 242.93535g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 169
- 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: 3.4
- Topological Polar Surface Area: 50.4?2
2-bromo-7-methoxy-1,3-benzothiazole Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A051000033-250mg |
2-Bromo-7-methoxybenzothiazole |
3622-45-5 | 98% | 250mg |
$192.02 | 2023-09-02 | |
| Alichem | A051000033-500mg |
2-Bromo-7-methoxybenzothiazole |
3622-45-5 | 98% | 500mg |
$346.42 | 2023-09-02 | |
| Alichem | A051000033-1g |
2-Bromo-7-methoxybenzothiazole |
3622-45-5 | 98% | 1g |
$684.27 | 2023-09-02 | |
| Chemenu | CM378529-1g |
2-bromo-7-methoxy-1,3-benzothiazole |
3622-45-5 | 95%+ | 1g |
$*** | 2023-05-30 | |
| Chemenu | CM378529-5g |
2-bromo-7-methoxy-1,3-benzothiazole |
3622-45-5 | 95%+ | 5g |
$*** | 2023-05-30 | |
| Chemenu | CM378529-10g |
2-bromo-7-methoxy-1,3-benzothiazole |
3622-45-5 | 95%+ | 10g |
$*** | 2023-05-30 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PB1150471-1G |
2-bromo-7-methoxy-1,3-benzothiazole |
3622-45-5 | 95% | 1g |
¥ 3,187.00 | 2023-04-13 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PB1150471-5G |
2-bromo-7-methoxy-1,3-benzothiazole |
3622-45-5 | 95% | 5g |
¥ 8,065.00 | 2023-04-13 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PB1150471-10G |
2-bromo-7-methoxy-1,3-benzothiazole |
3622-45-5 | 95% | 10g |
¥ 10,533.00 | 2023-04-13 | |
| Ambeed | A408364-1g |
2-Bromo-7-methoxybenzo[d]thiazole |
3622-45-5 | 98% | 1g |
$488.0 | 2024-04-19 |
2-bromo-7-methoxy-1,3-benzothiazole Related Literature
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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3. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
Additional information on 2-bromo-7-methoxy-1,3-benzothiazole
Professional Introduction to 2-bromo-7-methoxy-1,3-benzothiazole (CAS No. 3622-45-5)
2-bromo-7-methoxy-1,3-benzothiazole, identified by the Chemical Abstracts Service Number (CAS No.) 3622-45-5, is a heterocyclic organic compound that has garnered significant attention in the field of pharmaceutical and chemical research due to its versatile structural framework and potential biological activities. This compound belongs to the benzothiazole class, a scaffold that is widely recognized for its role in medicinal chemistry, particularly in the development of drugs targeting various diseases.
The molecular structure of 2-bromo-7-methoxy-1,3-benzothiazole consists of a benzothiazole core substituted with a bromine atom at the 2-position and a methoxy group at the 7-position. This specific arrangement of functional groups makes it a valuable intermediate in synthetic chemistry, enabling further derivatization to produce more complex molecules with tailored properties. The presence of both bromine and methoxy groups provides multiple sites for chemical modification, making it a versatile building block for drug discovery efforts.
In recent years, 2-bromo-7-methoxy-1,3-benzothiazole has been extensively studied for its pharmacological potential. Benzothiazole derivatives are known for their broad spectrum of biological activities, including antimicrobial, anti-inflammatory, anticancer, and antiviral effects. The bromine substituent enhances electrophilicity, facilitating reactions such as cross-coupling processes that are crucial in modern drug synthesis. Additionally, the methoxy group contributes to metabolic stability and bioavailability, making it an attractive moiety in drug design.
One of the most compelling aspects of 2-bromo-7-methoxy-1,3-benzothiazole is its utility in the synthesis of small-molecule inhibitors targeting specific biological pathways. For instance, recent studies have demonstrated its role in developing kinase inhibitors, which are essential in treating cancers and inflammatory diseases. The benzothiazole core interacts with ATP-binding pockets in kinases, disrupting their function and thereby inhibiting tumor growth or reducing inflammation. The bromine atom at the 2-position serves as a handle for palladium-catalyzed cross-coupling reactions, allowing for the introduction of diverse pharmacophores at other positions on the molecule.
Moreover, 2-bromo-7-methoxy-1,3-benzothiazole has been explored as a precursor in the development of antiviral agents. The structural motif is found in several approved drugs that target viral proteases and polymerases. By modifying the positions of bromine and methoxy groups or introducing additional functional groups, researchers can fine-tune the interactions between these molecules and viral targets. This flexibility has led to promising candidates for treating emerging viral infections, underscoring the importance of 2-bromo-7-methoxy-1,3-benzothiazole in medicinal chemistry.
The synthetic accessibility of CAS No. 3622-45-5 also contributes to its popularity among researchers. It can be readily prepared through established methods involving bromination and methylation reactions on pre-existing benzothiazole derivatives. This ease of synthesis allows for rapid screening and optimization of derivatives with desired biological activities. Additionally, advances in flow chemistry have enabled scalable production of 2-bromo-7-methoxy-1,3-benzothiazole, making it more feasible for industrial applications in drug manufacturing.
In conclusion,2-bromo-7-methoxy-1,3-benzothiazole (CAS No. 3622-45-5) represents a cornerstone compound in pharmaceutical research due to its structural versatility and biological relevance. Its role as an intermediate in synthesizing kinase inhibitors and antiviral agents highlights its importance in addressing critical health challenges. As research continues to uncover new therapeutic applications for benzothiazole derivatives,2-bromo-7-methoxy-1,3-benzothiazole will undoubtedly remain at the forefront of drug discovery efforts.
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