Cas no 773134-43-3 (Methyl 4-bromo-2-(methylsulfonyl)benzoate)
Methyl 4-bromo-2-(methylsulfonyl)benzoate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 4-bromo-2-(methylsulfonyl)benzoate
- 4-bromo-2-(methylsulfonyl)Benzoic acid methyl ester
- OMTWUICAKUOXOV-UHFFFAOYSA-N
- KM1841
- TRA0072544
- methyl 4-bromo-2-methylsulfonylbenzoate
- methyl 4-bromo-2-methanesulfonylbenzoate
- Methyl4-Bromo-2-(methylsulfonyl)benzoate
- SY007182
- AX8173918
- V7715
-
- MDL: MFCD06204242
- Inchi: 1S/C9H9BrO4S/c1-14-9(11)7-4-3-6(10)5-8(7)15(2,12)13/h3-5H,1-2H3
- InChI Key: OMTWUICAKUOXOV-UHFFFAOYSA-N
- SMILES: BrC1C=CC(C(=O)OC)=C(C=1)S(C)(=O)=O
Computed Properties
- Exact Mass: 291.94000
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 333
- XLogP3: 2.3
- Topological Polar Surface Area: 68.8
Experimental Properties
- PSA: 68.82000
- LogP: 2.72000
Methyl 4-bromo-2-(methylsulfonyl)benzoate Customs Data
- HS CODE:2916399090
- Customs Data:
China Customs Code:
2916399090Overview:
2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly
Summary:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
Methyl 4-bromo-2-(methylsulfonyl)benzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | D851017-5g |
Methyl 4-Bromo-2-(methylsulfonyl)benzoate |
773134-43-3 | ≥97% | 5g |
2,840.00 | 2021-05-17 | |
| TRC | M295963-250mg |
Methyl 4-Bromo-2-(methylsulfonyl)benzoate |
773134-43-3 | 250mg |
$81.00 | 2023-05-18 | ||
| TRC | M295963-500mg |
Methyl 4-Bromo-2-(methylsulfonyl)benzoate |
773134-43-3 | 500mg |
$138.00 | 2023-05-18 | ||
| TRC | M295963-1g |
Methyl 4-Bromo-2-(methylsulfonyl)benzoate |
773134-43-3 | 1g |
$ 190.00 | 2022-06-04 | ||
| TRC | M295963-2.5g |
Methyl 4-Bromo-2-(methylsulfonyl)benzoate |
773134-43-3 | 2.5g |
$471.00 | 2023-05-18 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | M81110-1g |
Methyl 4-Bromo-2-(methylsulfonyl)benzoate |
773134-43-3 | 1g |
¥578.0 | 2021-09-08 | ||
| Alichem | A019096421-5g |
Methyl 4-bromo-2-(methylsulfonyl)benzoate |
773134-43-3 | 97% | 5g |
$302.00 | 2023-09-01 | |
| Alichem | A019096421-10g |
Methyl 4-bromo-2-(methylsulfonyl)benzoate |
773134-43-3 | 97% | 10g |
$431.64 | 2023-09-01 | |
| Alichem | A019096421-25g |
Methyl 4-bromo-2-(methylsulfonyl)benzoate |
773134-43-3 | 97% | 25g |
$906.00 | 2023-09-01 | |
| Chemenu | CM155350-10g |
Methyl 4-bromo-2-(methylsulfonyl)benzoate |
773134-43-3 | 95+% | 10g |
$408 | 2022-06-10 |
Methyl 4-bromo-2-(methylsulfonyl)benzoate Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
Additional information on Methyl 4-bromo-2-(methylsulfonyl)benzoate
Methyl 4-bromo-2-(methylsulfonyl)benzoate (CAS No. 773134-43-3): A Versatile Intermediate in Modern Chemical Biology
Methyl 4-bromo-2-(methylsulfonyl)benzoate, identified by its CAS number 773134-43-3, is a significant compound in the realm of chemical biology and pharmaceutical research. This organic molecule, characterized by its brominated aromatic ring and methylsulfonyl substituent, has garnered considerable attention due to its utility as a key intermediate in the synthesis of various bioactive molecules.
The structural motif of Methyl 4-bromo-2-(methylsulfonyl)benzoate consists of a benzoate backbone, which is a well-documented scaffold in medicinal chemistry. The presence of a bromine atom at the 4-position and a methylsulfonyl group at the 2-position imparts unique reactivity and electronic properties to the molecule. These features make it an invaluable building block for designing novel compounds with potential therapeutic applications.
In recent years, the demand for specialized intermediates like Methyl 4-bromo-2-(methylsulfonyl)benzoate has surged, driven by advancements in drug discovery and development. The compound's ability to undergo various chemical transformations, such as nucleophilic aromatic substitution and Suzuki-Miyaura coupling, makes it particularly useful in constructing complex molecular architectures. These reactions are often employed in the synthesis of small-molecule inhibitors targeting critical biological pathways.
One of the most compelling aspects of Methyl 4-bromo-2-(methylsulfonyl)benzoate is its role in the development of kinase inhibitors. Kinases are enzymes that play a pivotal role in cell signaling, and their dysregulation is associated with numerous diseases, including cancer. Researchers have leveraged the reactivity of this compound to design inhibitors that selectively target specific kinases. For instance, derivatives of Methyl 4-bromo-2-(methylsulfonyl)benzoate have been explored as potential inhibitors of tyrosine kinases, which are overactive in many cancer types.
The methylsulfonyl group in Methyl 4-bromo-2-(methylsulfonyl)benzoate contributes to the compound's ability to interact with biological targets through both hydrophobic and electrostatic interactions. This feature has been exploited in the design of molecules that exhibit high binding affinity to protein receptors. Additionally, the bromine atom serves as a handle for further functionalization, allowing chemists to introduce additional substituents that can modulate biological activity.
Recent studies have highlighted the utility of Methyl 4-bromo-2-(methylsulfonyl)benzoate in the synthesis of antiviral agents. The growing threat of viral infections has prompted researchers to explore novel chemical entities that can interfere with viral replication cycles. The structural features of this compound have been found to be conducive for designing molecules that inhibit viral proteases and polymerases. Such inhibitors are crucial for developing new antiviral drugs that can combat emerging viral threats.
The versatility of Methyl 4-bromo-2-(methylsulfonyl)benzoate extends beyond its applications in drug discovery. It has also been utilized in materials science, where its ability to form stable complexes with metal ions makes it useful in the development of coordination polymers and metal-organic frameworks (MOFs). These materials have potential applications in catalysis, gas storage, and separation technologies.
In conclusion, Methyl 4-bromo-2-(methylsulfonyl)benzoate (CAS No. 773134-43-3) is a multifaceted compound with broad applications in chemical biology and pharmaceutical research. Its unique structural features and reactivity make it an indispensable tool for synthetic chemists working on the development of novel bioactive molecules. As research continues to uncover new therapeutic targets and challenges, compounds like this will remain at the forefront of innovation in drug discovery and beyond.
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