Cas no 1047644-76-7 (1,4-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole)
1,4-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
- 1H-Pyrazole,1,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
- AK-38133
- AM802870
- ANW-61641
- CTK8B8953
- KB-12461
- QC-9467
- SureCN1529678
- 1,4-DiMethylpyrazole-5-boronic Acid Pinacol Ester
- (1,4-DIMETHYL-1H-PYRAZOL-5-YL)BORONIC ACID PINACOL ESTER
- 1,4-Dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)
- 1,4-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
- 1,4-Dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
- NOZSCXDKBYFTBH-UHFFFAOYSA-N
- STL555826
- BBL102027
- A896169
- SY028446
- 1,4-Dimethyl-1H-pyrazole-5 boronic acid pinacol ester
- 1047644-76-7
- SCHEMBL1529678
- EN300-268860
- DTXSID90728029
- SB21901
- Z1741980565
- CS-W003827
- MFCD12400853
- AKOS016002973
- DS-13212
-
- MDL: MFCD12400853
- Inchi: 1S/C11H19BN2O2/c1-8-7-13-14(6)9(8)12-15-10(2,3)11(4,5)16-12/h7H,1-6H3
- InChI Key: NOZSCXDKBYFTBH-UHFFFAOYSA-N
- SMILES: O1B(C2=C(C)C=NN2C)OC(C)(C)C1(C)C
Computed Properties
- Exact Mass: 222.1539580 g/mol
- Monoisotopic Mass: 222.1539580 g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 267
- 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: 36.3
- Molecular Weight: 222.09
1,4-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole Security Information
- Signal Word:Warning
- Hazard Statement: H302-H315-H319-H332-H335
- Warning Statement: P261-P280-P305+P351+P338
- Storage Condition:Inert atmosphere,Store in freezer, under -20°C
1,4-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBXA8016-1 G |
1,4-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole |
1047644-76-7 | 97% | 1g |
¥ 402.00 | 2021-05-07 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBXA8016-5 G |
1,4-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole |
1047644-76-7 | 97% | 5g |
¥ 1,287.00 | 2021-05-07 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBXA8016-10 G |
1,4-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole |
1047644-76-7 | 97% | 10g |
¥ 2,547.00 | 2021-05-07 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBXA8016-25 G |
1,4-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole |
1047644-76-7 | 97% | 25g |
¥ 5,979.00 | 2021-05-07 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBXA8016-50 G |
1,4-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole |
1047644-76-7 | 97% | 50g |
¥ 10,672.00 | 2021-05-07 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBXA8016-100 G |
1,4-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole |
1047644-76-7 | 97% | 100g |
¥ 15,780.00 | 2021-05-07 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBXA8016-250 G |
1,4-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole |
1047644-76-7 | 97% | 250g |
¥ 31,561.00 | 2021-05-07 | |
| Alichem | A049003407-25g |
1,4-Dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole |
1047644-76-7 | 95% | 25g |
$1383.20 | 2023-09-04 | |
| Chemenu | CM105588-1g |
1,4-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole |
1047644-76-7 | 95+% | 1g |
$75 | 2021-08-06 | |
| Chemenu | CM105588-5g |
1,4-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole |
1047644-76-7 | 95+% | 5g |
$318 | 2021-08-06 |
1,4-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
Additional information on 1,4-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
1,4-Dimethyl-5-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole: A Versatile Building Block in Modern Medicinal Chemistry
1,4-Dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CAS No. 1047644-76-7) is a highly versatile compound that has gained significant attention in the field of medicinal chemistry and drug discovery. This compound, commonly referred to as a boronic ester-functionalized pyrazole, plays a crucial role in the synthesis of various bioactive molecules and pharmaceuticals. Its unique structural features and reactivity make it an invaluable tool for researchers and chemists working on the development of novel therapeutic agents.
The core structure of 1,4-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole consists of a pyrazole ring substituted with two methyl groups at the 1 and 4 positions and a tetramethyl-1,3,2-dioxaborolane moiety at the 5 position. The pyrazole ring is known for its biological activity and has been widely used in the design of drugs targeting various diseases. The boronic ester functionality, on the other hand, provides a convenient handle for further chemical modifications through Suzuki-Miyaura coupling reactions, which are essential in modern synthetic organic chemistry.
Recent studies have highlighted the potential of 1,4-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole in the development of new drugs. For instance, a study published in the Journal of Medicinal Chemistry demonstrated that this compound can be used as a key intermediate in the synthesis of potent inhibitors of protein-protein interactions (PPIs). PPIs are critical for many biological processes and are often dysregulated in diseases such as cancer and neurodegenerative disorders. By targeting these interactions, researchers can develop more effective and selective therapeutic agents.
In another notable application, 1,4-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole has been utilized in the synthesis of small molecules that modulate G protein-coupled receptors (GPCRs). GPCRs are a large family of membrane proteins involved in signal transduction pathways and are important targets for drug discovery. The ability to fine-tune the properties of these molecules through precise chemical modifications has led to the identification of several lead compounds with promising pharmacological profiles.
The synthetic accessibility of 1,4-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is another factor contributing to its popularity among researchers. The compound can be synthesized efficiently using well-established protocols involving palladium-catalyzed cross-coupling reactions. This ease of synthesis allows for rapid exploration of structure-activity relationships (SAR) and optimization of desired properties such as potency, selectivity, and pharmacokinetics.
Beyond its applications in drug discovery, 1,4-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole has also found use in materials science. The boronic ester functionality can be converted into boronic acid through hydrolysis, which is useful for preparing boron-containing materials with unique properties. These materials have potential applications in areas such as catalysis, sensing, and energy storage.
In conclusion, 1,4-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CAS No. 1047644-76-7) is a multifaceted compound with significant potential in both medicinal chemistry and materials science. Its unique structural features and reactivity make it an essential building block for the development of novel therapeutic agents and advanced materials. As research continues to uncover new applications and optimizations for this compound, its importance in modern scientific research is likely to grow even further.
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